theobromine profile

Theobromine: 3,7-Dimethylxanthine. The principle alkaloid in Theobroma cacao (the cacao bean) and other plants. A xanthine alkaloid that is used as a bronchodilator and as a vasodilator. It has a weaker diuretic activity than THEOPHYLLINE and is also a less powerful stimulant of smooth muscle. It has practically no stimulant effect on the central nervous system. It was formerly used as a diuretic and in the treatment of angina pectoris and hypertension. (From Martindale, The Extra Pharmacopoeia, 30th ed, pp1318-9) [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

theobromine : A dimethylxanthine having the two methyl groups located at positions 3 and 7. A purine alkaloid derived from the cacao plant, it is found in chocolate, as well as in a number of other foods, and is a vasodilator, diuretic and heart stimulator. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Related Flora

Pathways (7)

theobromine is involved in 7 pathway(s), involving a total of 13 unique proteins and 122 unique compounds

Flora	Rank	Flora Definition	Family	Family Definition
Theobroma	genus	[no description available]	Malvaceae	The mallow family of the order MALVALES, subclass Dilleniidae, class Magnoliopsida. The common names of hollyhock and mallow are used for several genera of Malvaceae.[MeSH]
Theobroma cacao	species	[no description available]	Malvaceae	The mallow family of the order MALVALES, subclass Dilleniidae, class Magnoliopsida. The common names of hollyhock and mallow are used for several genera of Malvaceae.[MeSH]

ID Source	ID
PubMed CID	5429
CHEMBL ID	1114
CHEBI ID	28946
SCHEMBL ID	3184
MeSH ID	M0021284

Synonym
xantheose
sc-15090 ,
theobromine(20%)
CHEMBL1114 ,
theobrominum
3,7-dimethyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione
nsc-5039
theostene
thesal
1h-purine-2, 3,7-dihydro-3,7-dimethyl-
diurobromine
sc 15090
nsc5039
teobromin
theosalvose
santheose
wln: t56 bn dn fnvmvj b1 f1
3,7-dimethylpurine-2,6-dione
theobromin
CHEBI:28946 ,
3,7-dihydro-3,7-dimethyl-1h-purine-2,6-dione
3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione
1h-purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-
DIVK1C_000611
KBIO1_000611
SDCCGMLS-0002875.P003
EU-0101187
5-26-13-00553 (beilstein)
1h-purine-2,6-dione,3,7-dihydro-3,7- dimethyl- (9ci)
2,6-dihydroxy-3,7-dimethyl-purine
theobromine, >=98.0%
thesodate
xanthine, 3,7-dimethyl-
nsc 5039
ccris 2350
SPECTRUM_000053
fema no. 3591
theobromine (natural)
brn 0016464
hsdb 7332
einecs 201-494-2
PRESTWICK2_000874
PDSP2_001001
PRESTWICK_1054
NCGC00016023-02
NCGC00016023-01
lopac-t-4500
cas-83-67-0
37T ,
LOPAC0_001187
BSPBIO_001758
NCGC00179030-02
NCGC00179030-01
BPBIO1_001043
PDSP1_001017
PRESTWICK3_000874
BSPBIO_000947
SPECTRUM5_001387
AB00052141
C07480
theobromine
3,7-dimethylxanthine
83-67-0
DB01412
NCGC00024123-05
NCGC00024123-08
NCGC00024123-04
MLS000028407
smr000058357
KBIO2_000433
KBIOGR_000666
KBIOSS_000433
KBIO2_003001
KBIO2_005569
KBIO3_001258
PRESTWICK0_000874
SPECTRUM2_000985
SPBIO_002868
PRESTWICK1_000874
SPBIO_001049
SPECTRUM3_000279
NINDS_000611
SPECTRUM4_000403
SPECTRUM1500649
IDI1_000611
NCGC00024123-03
NCGC00024123-07
NCGC00024123-06
NCGC00016023-03
NCGC00016023-06
AC-11381
T 4500
HMS2092G04
CEC63CCA-3B4B-4F4F-92C1-1789DF3C880A
NCGC00016023-14
yapqbxqyljrxsa-uhfffaoysa-
inchi=1/c7h8n4o2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3h,1-2h3,(h,9,12,13)
HMS501O13
FT-0660435
T0178
HMS1570P09
HMS1921O13
bdbm50014260
NCGC00016023-11
AKOS000121558
HMS3263N15
HMS2097P09
3,7-dimethyl-1,3,7-trihydropurine-2,6-dione
tox21_300016
NCGC00253943-01
pharmakon1600-01500649
nsc757407
nsc-757407
dtxcid506132
dtxsid9026132 ,
tox21_110284
CCG-40078
NCGC00016023-10
NCGC00016023-15
NCGC00016023-07
NCGC00016023-13
NCGC00016023-12
NCGC00016023-05
NCGC00016023-04
NCGC00016023-08
NCGC00016023-09
7-dimethylxanthine
2,6-dihydroxy-3,7-dimethylpurine
FT-0675138
unii-obd445wz5p
5-26-13-00553 (beilstein handbook reference)
obd445wz5p ,
theobromine [inn:ban:nf]
NCGC00016023-17
519-41-5
LP01187
pentoxifylline impurity a [ep impurity]
theobromine [mart.]
caffeine monohydrate impurity d [ep impurity]
theobromine [hsdb]
theobromine [iarc]
theobromine [mi]
theobromine [fhfi]
theobromine [who-dd]
theobrominum [hpus]
theobromine [ep impurity]
theobromine [vandf]
theobromine [inci]
S2368
3,7-dimethylxanthin
3,7-dimethyl-1h-purine-2,6(3h,7h)-dione
SCHEMBL3184
tox21_110284_1
NCGC00016023-18
NCGC00261872-01
tox21_501187
3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione #
BBL034679
STL419465
AC-34381
Q-100848
HY-N0138
CS-7972
theobromine, pharmaceutical secondary standard; certified reference material
AB00052141_12
mfcd00022830
theobromine, >=98.0% (hplc)
3, 7-dimethylxanthine
SR-01000000069-2
sr-01000000069
theobromine, analytical standard
theobromine, european pharmacopoeia (ep) reference standard
theobromine 0.1 mg/ml in methanol
SR-01000000069-4
SR-01000000069-9
SR-01000000069-10
SR-01000000069-7
SR-01000000069-8
SBI-0051154.P003
HMS3714P09
Z56347209
theobromine;
3,7-dimethylxanthine; 3,7-dimethylpurine-2,6-dione
3,7-dimethyl-1h-purine-2,6-dione
SY048379
theobromine (3,7-dimethylxanthine)
AS-13904
Q206844
BRD-K34888156-001-08-8
EN300-16609
SDCCGSBI-0051154.P004
NCGC00016023-26
D71206
theobromine (ep impurity)
theobromine (mart.)
theobromine (iarc)
pentoxifylline impurity a (ep impurity)
caffeine ep impurity d

Excerpt	Reference
"Theobromine is a common ingredient of many natural foods consumed by a large population worldwide."	( Bhat, JA; Kumar, M, 2022)
"Theobromine is a caffeine metabolite most abundant in dark chocolate, of which consumption is linked with a lower risk of cognitive decline. "	( Alçada-Morais, S; Cunha, RA; Lopes, JP; Valada, P, 2022)
"Theobromine is an abundant methylxanthine in cocoa/chocolate. "	( Franco, R; Martínez-Pinilla, E, 2023)
"Theobromine is a xanthine derivative, structurally related to the nucleobases, and also present in many living beings."	( Calabrese, C; Camiruaga, A; D'mello, VC; Fernández, JA; Usabiaga, I; Veloso, A; Wategaonkar, S, 2020)
"Theobromine is a natural methylxanthine present in dark chocolate particularly abundant in cocoa bean shell."	( Biasi, F; Iaia, N; Poli, G; Rossin, D; Sottero, B; Venezia, I, 2020)
"Theobromine is a caffeine derivative and the primary methylxanthine in Theobroma cacao. "	( Katakura, M; Matsuzaki, K; Shido, O; Sugimoto, N; Sumiyoshi, E; Yachie, A, 2019)
"Theobromine, which is a caffeine derivative, is the primary methylxanthine produced by Theobroma cacao. "	( Katakura, M; Matsuzaki, K; Ohno-Shosaku, T; Shido, O; Sugimoto, N; Tanigami, H; Yachie, A; Yoneda, M, 2017)

Excerpt	Reference
"Theobromine has shown health benefits in several studies, attributed to regulation of calcium homeostasis, phosphodiesterase, neurotransmission, and neurotrophins."	( Bhat, JA; Kumar, M, 2022)
"Theobromine (TB) has been reported to promote tooth remineralization, strengthen tooth substance, and relieve dentin hypersensitivity. "	( Burrow, MF; Hotta, M; Ichimura, Y; Ikeda, M; Kitada, N; Kusakabe, S; Nikaido, T; Shimizu, S; Takagaki, T; Toyama, M; Yamamoto, K, 2023)
"Theobromine has also been shown to improve lipoprotein levels in trials, although these findings need verification at habitual intake levels."	( Berends, LM; Cassidy, A; van der Velpen, V, 2015)
"Theobromine has to exceed a threshold level of 2 microg/mL, hence a robust and reliable quantitation is required."	( Krug, O; Opfermann, G; Schänzer, W; Thevis, M, 2004)
"Theobromine tablets have been prepared by wet granulation using gelatin solutions of various concentrations. "	( Gyurkó, E; Miseta, M; Pintyéné, HK; Selmeczi, B; Szabóné, RP, 1989)
"Theobromine has some pharmacological effects, although these activities are considerably weaker than those of theophylline and/or caffeine, described in parts 1 and 2 of this series (Stavric, Fd Chem."	( Stavric, B, 1988)

Excerpt	Reference
"As theobromine and fat increase fasting apoA-I concentrations, and the intestine is involved in apoA-I production, the acute effects of both were studied on duodenal gene transcription to better understand underlying mechanisms."	( Boekschoten, MV; de Ridder, RJJ; Mensink, RP; Plat, J; Smolders, L, 2018)
"The theobromine in cocoa plays an immunoregulatory role that is responsible for cocoa's influence on both systemic and intestinal antibody concentrations and also for modifying lymphoid tissue lymphocyte composition in young healthy Lewis rats. "	( Camps-Bossacoma, M; Castell, M; Franch, À; Pérez-Cano, FJ, 2018)
"Theobromine did not produce changes in group ratings but changed ratings in some subjects."	( Evans, SM; Griffiths, RR; Kaminski, BJ; Mumford, GK; Preston, KL; Sannerud, CA; Silverman, K, 1994)

Excerpt	Reference
"L-theobromine was treated as a log transform and dichotomous form (the highest quantile vs. "	( Chen, N; Gao, L; Ge, W; Guo, J; He, L; Peng, C, 2022)
"Theobromine treatment increased AMPK phosphorylation and knockdown of AMPKα1/α2 prevented the ability of theobromine to inhibit PPARγ expression in the differentiating 3T3-L1 cells."	( Jang, YJ; Kang, SC; Koo, HJ; Pyo, S; Rhee, DK; Sohn, EH, 2015)
"Treatment with theobromine significantly attenuated neurological deficits and improved sensorimotor functions and memory in rats with CH."	( Bhat, JA; Kumar, M, 2022)
"Treatment with theobromine-enriched cocoa resulted in a mean±SE of 3.2±1.1 mm Hg higher 24-hour ambulatory systolic blood pressure compared with placebo (P<0.01)."	( Draijer, R; van den Bogaard, B; van den Born, BJ; van den Meiracker, AH; van Montfrans, GA; Westerhof, BE, 2010)
"Treatment with theobromine produced a significant increase in the contents of hydroxylysine, hydroxyproline, and proline in both anterior and posterior sclera, while 7-methylxanthine increased the contents of hydroxyproline and proline selectively in posterior sclera. "	( Kobayashi, T; Olsen, EB; Ribel-Madsen, SM; Trier, K, 1999)

Role	Description
vasodilator agent	A drug used to cause dilation of the blood vessels.
bronchodilator agent	An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
adenosine receptor antagonist	An antagonist at any adenosine receptor.
food component	A physiological role played by any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants.
plant metabolite	Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human blood serum metabolite	Any metabolite (endogenous or exogenous) found in human blood serum samples.
mouse metabolite	Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Class	Description
dimethylxanthine
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Pathway	Proteins	Compounds
Caffeine Metabolism	8	21
theobromine biosynthesis I	0	9
caffeine biosynthesis I	0	11
theobromine biosynthesis II (via xanthine)	0	6
caffeine biosynthesis I	0	12
caffeine degradation IV (bacteria, via demethylation and oxidation)	0	16
caffeine degradation III (bacteria, via demethylation)	5	21
Caffeine and theobromine metabolism	0	11

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Fumarate hydratase	Homo sapiens (human)	Potency	33.1734	0.0030	8.7949	48.0869	AID1347053
USP1 protein, partial	Homo sapiens (human)	Potency	35.4813	0.0316	37.5844	354.8130	AID504865
GLS protein	Homo sapiens (human)	Potency	35.4813	0.3548	7.9355	39.8107	AID624146
nuclear receptor subfamily 1, group I, member 3	Homo sapiens (human)	Potency	27.1677	0.0010	22.6508	76.6163	AID1224838
EWS/FLI fusion protein	Homo sapiens (human)	Potency	25.9071	0.0013	10.1577	42.8575	AID1259252; AID1259253; AID1259255; AID1259256
retinoid X nuclear receptor alpha	Homo sapiens (human)	Potency	25.1189	0.0008	17.5051	59.3239	AID588544
polyprotein	Zika virus	Potency	33.1734	0.0030	8.7949	48.0869	AID1347053
arylsulfatase A	Homo sapiens (human)	Potency	0.0849	1.0691	13.9551	37.9330	AID720538
euchromatic histone-lysine N-methyltransferase 2	Homo sapiens (human)	Potency	13.4077	0.0355	20.9770	89.1251	AID504332
peripheral myelin protein 22 isoform 1	Homo sapiens (human)	Potency	84.9214	23.9341	23.9341	23.9341	AID1967
chromobox protein homolog 1	Homo sapiens (human)	Potency	39.8107	0.0060	26.1688	89.1251	AID488953
potassium voltage-gated channel subfamily H member 2 isoform d	Homo sapiens (human)	Potency	25.1189	0.0178	9.6374	44.6684	AID588834
mitogen-activated protein kinase 1	Homo sapiens (human)	Potency	0.0040	0.0398	16.7842	39.8107	AID995
nuclear factor erythroid 2-related factor 2 isoform 1	Homo sapiens (human)	Potency	24.2132	0.0006	27.2152	1,122.0200	AID743219
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Homo sapiens (human)	Potency	37.9330	0.4256	12.0591	28.1838	AID504536
cytochrome P450 3A4 isoform 1	Homo sapiens (human)	Potency	25.1189	0.0316	10.2792	39.8107	AID884; AID885
muscarinic acetylcholine receptor M1	Rattus norvegicus (Norway rat)	Potency	0.0112	0.0010	6.0009	35.4813	AID943
Gamma-aminobutyric acid receptor subunit pi	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-1	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit delta	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-2	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-5	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-3	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-1	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-2	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-4	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-3	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-6	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-1	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-3	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-2	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
GABA theta subunit	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit epsilon	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
ATP-dependent phosphofructokinase	Trypanosoma brucei brucei TREU927	Potency	26.8545	0.0601	10.7453	37.9330	AID485368
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Adenosine receptor A1	Rattus norvegicus (Norway rat)	Ki	105.0000	0.0001	1.2092	9.9700	AID31860
Adenosine receptor A2b	Rattus norvegicus (Norway rat)	Ki	250.0000	0.0006	1.3536	10.0000	AID33434; AID33897
Adenosine receptor A2a	Rattus norvegicus (Norway rat)	Ki	250.0000	0.0002	1.4940	10.0000	AID33434; AID33897
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
G protein-coupled adenosine receptor activity	Adenosine receptor A2a	Rattus norvegicus (Norway rat)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
plasma membrane	Gamma-aminobutyric acid receptor subunit gamma-2	Rattus norvegicus (Norway rat)
Golgi membrane	Adenosine receptor A2a	Rattus norvegicus (Norway rat)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-1	Rattus norvegicus (Norway rat)
plasma membrane	Gamma-aminobutyric acid receptor subunit beta-2	Rattus norvegicus (Norway rat)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347058	CD47-SIRPalpha protein protein interaction - HTRF assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347151	Optimization of GU AMC qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347059	CD47-SIRPalpha protein protein interaction - Alpha assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347050	Natriuretic polypeptide receptor (hNpr2) antagonism - Pilot subtype selectivity assay	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID588378	qHTS for Inhibitors of ATXN expression: Validation
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1508630	Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay	2021	Cell reports, 04-27, Volume: 35, Issue:4	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347049	Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot screen	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID588349	qHTS for Inhibitors of ATXN expression: Validation of Cytotoxic Assay
AID1347045	Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot counterscreen GloSensor control cell line	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID504836	Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in human glioma: Validation	2002	The Journal of biological chemistry, Apr-19, Volume: 277, Issue:16	Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells.
AID1347057	CD47-SIRPalpha protein protein interaction - LANCE assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347405	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS LOPAC collection	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347410	qHTS for inhibitors of adenylyl cyclases using a fission yeast platform: a pilot screen against the NCATS LOPAC library	2019	Cellular signalling, 08, Volume: 60	A fission yeast platform for heterologous expression of mammalian adenylyl cyclases and high throughput screening.
AID1347092	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347105	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID1347106	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347091	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347097	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347093	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154	Primary screen GU AMC qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347096	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347089	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347102	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1347425	Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347407	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347424	RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID504749	qHTS profiling for inhibitors of Plasmodium falciparum proliferation	2011	Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043	Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
AID1347411	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID33897	Antagonism of N-ethylcarboxamido adenosine-stimulated adenylate cyclase associated with stimulation of Adenosine A2 receptor of rat PC12 membranes	1990	Journal of medicinal chemistry, Oct, Volume: 33, Issue:10	Imidazodiazepinediones: a new class of adenosine receptor antagonists.
AID977599	Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID55471	Binding affinity to DNA intercalator Acridine orange.	2001	Journal of medicinal chemistry, Dec-20, Volume: 44, Issue:26	Structural basis for the binding affinity of xanthines with the DNA intercalator acridine orange.
AID30806	Binding affinity at Adenosine A2 receptor in rat striatal membrane using [3H]- 5'-N-ethylcarboxamidoadenosine (NECA) at 250 uM	1993	Journal of medicinal chemistry, Oct-29, Volume: 36, Issue:22	Synthesis of paraxanthine analogs (1,7-disubstituted xanthines) and other xanthines unsubstituted at the 3-position: structure-activity relationships at adenosine receptors.
AID453747	Inhibition of Escherichia coli recombinant N-terminal hexahistidine-tagged CTP synthetase expressed in Escherichia coli BL21 (DE3) assessed as inhibition of CTP formation by continuous spectrophotometric assay in presence of 10 mM L-glutamine and 0.15 mM	2010	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 20, Issue:1	Inhibition of CTP synthase from Escherichia coli by xanthines and uric acids.
AID697852	Inhibition of electric eel AChE at 2 mg/ml by Ellman's method	2012	Bioorganic & medicinal chemistry, Nov-15, Volume: 20, Issue:22	Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.
AID453744	Inhibition of Escherichia coli recombinant N-terminal hexahistidine-tagged CTP synthetase expressed in Escherichia coli BL21 (DE3) assessed as inhibition of CTP formation by continuous spectrophotometric assay in presence of 150 mM NH4Cl	2010	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 20, Issue:1	Inhibition of CTP synthase from Escherichia coli by xanthines and uric acids.
AID31881	Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [3H]N6-R-phenylisopropyladenosine (R-PIA) as radioligand	1993	Journal of medicinal chemistry, Oct-29, Volume: 36, Issue:22	Synthesis of paraxanthine analogs (1,7-disubstituted xanthines) and other xanthines unsubstituted at the 3-position: structure-activity relationships at adenosine receptors.
AID697853	Inhibition of horse BChE at 2 mg/ml by Ellman's method	2012	Bioorganic & medicinal chemistry, Nov-15, Volume: 20, Issue:22	Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.
AID1768730	Relative lipophilicity of the compound in methanol assessed as retardation factor by reversed-phase TLC analysis	2021	Bioorganic & medicinal chemistry letters, 10-01, Volume: 49	Estimation of the lipophilicity of purine-2,6-dione-based TRPA1 antagonists and PDE4/7 inhibitors with analgesic activity.
AID33434	Binding affinity for Adenosine A2 receptor from rat striatum using [3H]NECA as radioligand	1990	Journal of medicinal chemistry, Oct, Volume: 33, Issue:10	Imidazodiazepinediones: a new class of adenosine receptor antagonists.
AID511376	Neurotoxicity in ddY mouse assessed as changes in behavioral activity at 110 nmol/mouse, icv measured for 60 mins	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Novel N-methylated 8-oxoisoguanines from Pacific sponges with diverse neuroactivities.
AID21086	Lipid solubility measured as chloroform-water partition coefficient	1985	Journal of medicinal chemistry, Jan, Volume: 28, Issue:1	1H-2-Benzopyran-1-one derivatives, microbial products with pharmacological activity. Conversion into orally active derivatives with antiinflammatory and antiulcer activities.
AID31860	Binding affinity for Adenosine A1 receptor from rat brain using [3H]-PIA as radioligand	1990	Journal of medicinal chemistry, Oct, Volume: 33, Issue:10	Imidazodiazepinediones: a new class of adenosine receptor antagonists.
AID33411	Inhibition of [3H]NECA binding to Adenosine A2 receptor in rat striatal membrane	1990	Journal of medicinal chemistry, Oct, Volume: 33, Issue:10	Imidazodiazepinediones: a new class of adenosine receptor antagonists.
AID1768729	Lipophilicity, logP of compound by shake flask method	2021	Bioorganic & medicinal chemistry letters, 10-01, Volume: 49	Estimation of the lipophilicity of purine-2,6-dione-based TRPA1 antagonists and PDE4/7 inhibitors with analgesic activity.
AID977602	Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID521220	Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay	2007	Nature chemical biology, May, Volume: 3, Issue:5	Chemical genetics reveals a complex functional ground state of neural stem cells.
AID540299	A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis	2010	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21	Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID588519	A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities	2011	Antiviral research, Sep, Volume: 91, Issue:3	High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID1159550	Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening	2015	Nature cell biology, Nov, Volume: 17, Issue:11	6-Phosphogluconate dehydrogenase links oxidative PPP, lipogenesis and tumour growth by inhibiting LKB1-AMPK signalling.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).	2014	Journal of biomolecular screening, Jul, Volume: 19, Issue:6	A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).
AID1159607	Screen for inhibitors of RMI FANCM (MM2) intereaction	2016	Journal of biomolecular screening, Jul, Volume: 21, Issue:6	A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	1015 (58.17)	18.7374
1990's	236 (13.52)	18.2507
2000's	205 (11.75)	29.6817
2010's	201 (11.52)	24.3611
2020's	88 (5.04)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	174 (9.33%)	5.53%
Reviews	73 (3.92%)	6.00%
Case Studies	48 (2.58%)	4.05%
Observational	0 (0.00%)	0.25%
Other	1,569 (84.17%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Trial	Phase	Enrollment	Study Type	Start Date	Status
The Effectiveness Evaluation of the Theobromine Containing Toothpastes in Controlling Dental Plaque in Children Aged 6-9years(Randomized Controlled Clinical Trial)[NCT05187507]		80 participants (Actual)	Interventional	2021-09-25	Completed
Effects of a Cocoa Shot on the Human Brain 2[NCT02080845]		24 participants (Actual)	Interventional	2014-03-31	Completed
Temporal Change of Mood and Cognition in Healthy Subjects After Consumption of Theobromine and/ or Caffeine[NCT01288547]		24 participants (Actual)	Interventional	2008-05-31	Completed
The Effects of a Diet Rich in Fat or Theobromine on Intestinal apoA-I mRNA and Protein Expression[NCT02085109]		10 participants (Actual)	Interventional	2014-02-28	Completed
The Effects of Short-term Theobromine Supplementation on Vascular Function and Intestinal apoA-I Production in Fasting and in the Postprandial State[NCT02209025]		48 participants (Actual)	Interventional	2014-06-30	Completed
"Therapeutic Confirmatory Clinical Trial to Evaluate the Safety and Efficacy of Theobromine Capsule 300mg as an Antitussive Agent in Acute Cough Patients."[NCT01416480]	Phase 3	332 participants (Actual)	Interventional	2010-05-31	Completed
Consumption of Chocolate in Pregnant Women at High Risk for Preeclampsia.[NCT01431443]	Phase 2	160 participants (Actual)	Interventional	2011-05-31	Completed
The Effect of Theobromine on Blood Lipid Parameters in Healthy Subjects[NCT01481389]		152 participants (Actual)	Interventional	2010-12-31	Completed
The Acute Effect of 2 Different Serving Regimens of Theobromine on Theobromine Concentration in the Blood & Physiological Effects[NCT01544829]		12 participants (Actual)	Interventional	2012-02-29	Completed
Food Matrix Effect on Flavanol Absorption, Metabolism and Excretion: Methylxanthines[NCT03526107]		10 participants (Actual)	Interventional	2017-02-16	Completed
A Multicentre, Double-Blind, Placebo-Controlled, Adaptive Pivotal Study of the Efficacy and Safety of Oral BC1036 in the Management of Cough[NCT01656668]	Phase 3	288 participants (Anticipated)	Interventional	2012-07-31	Completed
Effects of a Cocoa Shot on the Human Brain[NCT01924481]		6 participants (Actual)	Interventional	2013-09-30	Completed
The Effect of Using Two Desensitizing Agents Alone and In Combination on Dentin Permeability and Hypersensitivity[NCT04340869]		30 participants (Anticipated)	Interventional	2019-08-01	Recruiting
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Substance	Description	Relationhip Strength	Studies	Trials	Classes	Roles
enprofylline	[no description available]	medium	7	0	oxopurine	anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug
theophylline	[no description available]	high	559	18	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent
theophylline	[no description available]	high	559	0	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent
caffeine	[no description available]	high	618	27	purine alkaloid; trimethylxanthine	adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic
caffeine	[no description available]	high	618	0	purine alkaloid; trimethylxanthine	adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic
1-methyl-3-isobutylxanthine	[no description available]	medium	16	0	3-isobutyl-1-methylxanthine
sarcosine	[no description available]	medium	1	0	N-alkylglycine zwitterion; N-alkylglycine; N-methyl-amino acid; N-methylglycines	Escherichia coli metabolite; glycine receptor agonist; glycine transporter 1 inhibitor; human metabolite; mouse metabolite
indomethacin	[no description available]	medium	11	0	aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole	analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic
aminopyrine	[no description available]	medium	9	0	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
methylaniline	[no description available]	medium	1	0	methylaniline; phenylalkylamine; secondary amine
deanol	[no description available]	medium	1	0	ethanolamines; tertiary amine	curing agent; radical scavenger
ephedrine	[no description available]	high	8	1	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
ephedrine	[no description available]	high	8	0	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
ai 77b	[no description available]	medium	1	0
1,7-dimethylxanthine	[no description available]	high	94	0	dimethylxanthine	central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite
1,7-dimethylxanthine	[no description available]	high	94	5	dimethylxanthine	central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite
7-methylxanthine	[no description available]	medium	9	0	oxopurine; purine alkaloid	human xenobiotic metabolite; mouse metabolite; plant metabolite
3-methylxanthine	[no description available]	medium	7	0	3-methylxanthine	metabolite
1-methylxanthine	[no description available]	medium	4	0	1-methylxanthine	mouse metabolite
1-propylxanthine	[no description available]	medium	1	0
1-isoamyl-3-isobutylxanthine	[no description available]	medium	1	0
1,3-dipropylxanthine	[no description available]	medium	1	0
psb 1115	[no description available]	medium	1	0	oxopurine
purine	[no description available]	medium	15	0	purine
uric acid	[no description available]	high	39	2	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
uric acid	[no description available]	high	39	0	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
xanthine	[no description available]	medium	20	0	xanthine	Saccharomyces cerevisiae metabolite
1,3-dimethyluric acid	[no description available]	medium	3	0	oxopurine	metabolite
1,3,7,9-tetramethyluric acid	[no description available]	medium	3	0	oxopurine; purine alkaloid	analgesic; anti-inflammatory agent; human xenobiotic metabolite; plant metabolite
6-methylpurine	[no description available]	medium	1	0	purines	EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor
6-chloropurine	[no description available]	medium	1	0	purines
gamma-aminobutyric acid	[no description available]	medium	7	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
acetamide	[no description available]	medium	1	0	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
quinacrine	[no description available]	medium	1	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
catechol	[no description available]	medium	1	0	catechols	allelochemical; genotoxin; plant metabolite
taxifolin	[no description available]	medium	1	0	3'-hydroxyflavanones; 4'-hydroxyflavanones; dihydroflavonols; pentahydroxyflavanone; secondary alpha-hydroxy ketone
phosphonoacetic acid	[no description available]	medium	1	0	monocarboxylic acid; phosphonic acids	antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
3,4-dihydroxyphenylacetic acid	[no description available]	medium	2	0	catechols; dihydroxyphenylacetic acid	human metabolite
aminocaproic acid	[no description available]	medium	1	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
diacetyl	[no description available]	medium	1	0	alpha-diketone	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
hydroquinone	[no description available]	medium	1	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
melatonin	[no description available]	medium	2	0	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
n-acetylserotonin	[no description available]	medium	1	0	acetamides; N-acylserotonin; phenols	antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist
pyrazinamide	[no description available]	medium	1	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
quinolinic acid	[no description available]	high	2	0	pyridinedicarboxylic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist
taurine	[no description available]	medium	1	0	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
2-amino-5-phosphonovalerate	[no description available]	medium	2	0	non-proteinogenic alpha-amino acid	NMDA receptor antagonist
alpha-methyl-4-carboxyphenylglycine	[no description available]	medium	1	0
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid	[no description available]	medium	1	0
1-hydroxy-3-amino-2-pyrrolidone	[no description available]	medium	1	0
ibotenic acid	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid	neurotoxin
n(8)-bromoacetyl-n(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthane	[no description available]	medium	1	0
sk&f-38393	[no description available]	medium	3	0	benzazepine; catechols; secondary amino compound
vanilmandelic acid	[no description available]	medium	1	0	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite
1,10-diaminodecane	[no description available]	medium	1	0
1,3-diethyl-8-phenylxanthine	[no description available]	medium	1	0
1,3-dipropyl-8-cyclopentylxanthine	[no description available]	medium	72	0	oxopurine	adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
1,3-dipropyl-8-(4-sulfophenyl)xanthine	[no description available]	medium	3	0
1,5-dihydroxyisoquinoline	[no description available]	medium	1	0	isoquinolinol	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
pk 11195	[no description available]	medium	1	0	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent
1-(2-trifluoromethylphenyl)imidazole	[no description available]	medium	1	0	imidazoles
1-aminobenzotriazole	[no description available]	medium	1	0
1-methylimidazole	[no description available]	medium	1	0	imidazoles
edelfosine	[no description available]	medium	1	0	glycerophosphocholine
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one	[no description available]	medium	1	0	oxadiazoloquinoxaline	EC 4.6.1.2 (guanylate cyclase) inhibitor
2,2'-dipyridyl	[no description available]	medium	1	0	bipyridine	chelator; ferroptosis inhibitor
2-hydroxysaclofen	[no description available]	medium	1	0	organochlorine compound
3,4-dichloroisocoumarin	[no description available]	medium	1	0	isocoumarins; organochlorine compound	geroprotector; serine protease inhibitor
phaclofen	[no description available]	medium	1	0	organophosphate oxoanion; zwitterion
3-aminobenzamide	[no description available]	medium	3	0	benzamides; substituted aniline	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
3-bromo-7-nitroindazole	[no description available]	medium	1	0
3-nitropropionic acid	[no description available]	medium	1	0	C-nitro compound	antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin
4-amino-1,8-naphthalimide	[no description available]	medium	1	0	benzoisoquinoline; dicarboximide
4-aminopyridine	[no description available]	medium	1	0	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
homovanillic acid	[no description available]	medium	1	0	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
4-hydroxybenzoic acid hydrazide	[no description available]	medium	1	0	carbohydrazide; phenols
4-phenyl-3-furoxancarbonitrile	[no description available]	medium	1	0	1,2,5-oxadiazole; benzenes; N-oxide; nitrile	geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
5,5-dimethyl-1-pyrroline-1-oxide	[no description available]	medium	1	0	1-pyrroline nitrones	neuroprotective agent; spin trapping reagent
phenytoin	[no description available]	medium	5	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
5,7-dichlorokynurenic acid	[no description available]	medium	1	0	quinolines
5-(n,n-hexamethylene)amiloride	[no description available]	medium	1	0	aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines	antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker
ethylisopropylamiloride	[no description available]	medium	1	0	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker
5-fluoroindole-2-carboxylic acid	[no description available]	medium	1	0	indolyl carboxylic acid
hydroxyindoleacetic acid	[no description available]	high	3	0	indole-3-acetic acids	drug metabolite; human metabolite; mouse metabolite
phenanthridone	[no description available]	medium	1	0	lactam; phenanthridines	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; immunosuppressive agent; mutagen
6-chloromelatonin	[no description available]	medium	1	0	acetamides
6-hydroxymelatonin	[no description available]	medium	1	0	acetamides; tryptamines	metabolite; mouse metabolite
6-methoxytryptoline	[no description available]	medium	1	0
6-nitroso-1,2-benzopyrone	[no description available]	medium	1	0
7-chlorokynurenic acid	[no description available]	medium	1	0	organochlorine compound; quinolinemonocarboxylic acid	neuroprotective agent; NMDA receptor antagonist
7-nitroindazole	[no description available]	medium	1	0
8-(4-sulfophenyl)theophylline	[no description available]	medium	8	0
8-cyclopentyl-1,3-dimethylxanthine	[no description available]	medium	19	0	oxopurine
8-phenyltheophylline	[no description available]	medium	8	0
acetazolamide	[no description available]	medium	7	0	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohexamide	[no description available]	medium	1	0	acetophenones; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
ag 127	[no description available]	medium	1	0	nitrophenol
rtki cpd	[no description available]	medium	1	0	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector
tyrphostin a23	[no description available]	medium	1	0	catechols
tyrphostin 25	[no description available]	medium	1	0	benzenetriol
tyrphostin a1	[no description available]	medium	1	0	methoxybenzenes	geroprotector
1-aminoindan-1,5-dicarboxylic acid	[no description available]	medium	1	0
albuterol	[no description available]	medium	1	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alpha-methyltyrosine methyl ester	[no description available]	medium	1	0
altretamine	[no description available]	medium	1	0	triamino-1,3,5-triazine
amfonelic acid	[no description available]	medium	1	0
amifostine anhydrous	[no description available]	medium	1	0	diamine; organic thiophosphate	antioxidant; prodrug; radiation protective agent
amoxapine	[no description available]	medium	1	0	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
aniracetam	[no description available]	medium	1	0	N-acylpyrrolidine; pyrrolidin-2-ones
2-amino-4-phosphonobutyric acid	[no description available]	medium	1	0
aspirin	[no description available]	medium	28	0	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
aspirin	[no description available]	medium	28	7	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
atenolol	[no description available]	medium	1	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate	[no description available]	medium	1	0	alpha-amino acid
aurintricarboxylic acid	[no description available]	medium	1	0	monohydroxybenzoic acid; quinomethanes; tricarboxylic acid	fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist
azathioprine	[no description available]	medium	1	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
azelaic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite
baclofen	[no description available]	medium	2	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
bay-k-8644	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester
benzamide	[no description available]	medium	2	0	benzamides
bepridil	[no description available]	medium	1	0	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
bml 190	[no description available]	medium	1	0	N-acylindole
brimonidine	[no description available]	medium	1	0	imidazoles; quinoxaline derivative; secondary amine	adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent
bumetanide	[no description available]	medium	1	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
carbamazepine	[no description available]	medium	4	0	dibenzoazepine; ureas	analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic
carbetapentane	[no description available]	medium	2	0	benzenes
carisoprodol	[no description available]	medium	1	0	carbamate ester	muscle relaxant
carmustine	[no description available]	medium	1	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
cgs 12066	[no description available]	medium	1	0	N-arylpiperazine; organofluorine compound; pyrroloquinoxaline	serotonergic agonist
cgs 15943	[no description available]	medium	4	0	aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline	adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant
chlorambucil	[no description available]	medium	2	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chlormezanone	[no description available]	medium	1	0	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
chlorothiazide	[no description available]	medium	4	0	benzothiadiazine	antihypertensive agent; diuretic
chlorpropamide	[no description available]	medium	3	0	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
chlorzoxazone	[no description available]	medium	1	0	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
cilostamide	[no description available]	medium	1	0	quinolines
cilostazol	[no description available]	medium	1	0	lactam; tetrazoles	anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
cimetidine	[no description available]	medium	5	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cimetidine	[no description available]	medium	5	1	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cinoxacin	[no description available]	medium	1	0	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent
ciprofibrate	[no description available]	medium	1	0	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
clofibrate	[no description available]	medium	1	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clotrimazole	[no description available]	medium	2	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
cx546	[no description available]	medium	1	0
cyclothiazide	[no description available]	medium	1	0	benzothiadiazine	antihypertensive agent; diuretic
dephostatin	[no description available]	medium	1	0
nonivamide	[no description available]	medium	1	0	capsaicinoid; phenols	lachrymator
r 59022	[no description available]	medium	1	0	diarylmethane
diazoxide	[no description available]	medium	1	0	benzothiadiazine; organochlorine compound; sulfone	antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent
pentetic acid	[no description available]	medium	1	0	pentacarboxylic acid	copper chelator
diphenyleneiodonium	[no description available]	medium	1	0	organic cation
dipyridamole	[no description available]	high	22	7	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
dipyridamole	[no description available]	high	22	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
disopyramide	[no description available]	medium	1	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
disulfiram	[no description available]	medium	1	0	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor
2-amino-7-phosphonoheptanoic acid	[no description available]	medium	1	0
thiorphan	[no description available]	medium	1	0	N-acyl-amino acid
2,3-dimethoxy-1,4-naphthoquinone	[no description available]	medium	1	0	1,4-naphthoquinones
domperidone	[no description available]	medium	1	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
droperidol	[no description available]	medium	1	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
ebselen	[no description available]	medium	1	0	benzoselenazole	anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger
ellipticine	[no description available]	medium	2	0	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene	antineoplastic agent; plant metabolite
emodin	[no description available]	medium	2	0	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor
ethosuximide	[no description available]	medium	1	0	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
etodolac	[no description available]	medium	1	0	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
felbamate	[no description available]	medium	1	0	carbamate ester	anticonvulsant; neuroprotective agent
felodipine	[no description available]	medium	1	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
fenofibrate	[no description available]	medium	1	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
flumazenil	[no description available]	medium	2	0	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
fluorouracil	[no description available]	medium	2	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluspirilene	[no description available]	medium	1	0	diarylmethane
flutamide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
formoterol fumarate	[no description available]	medium	1	0	formamides; phenols; phenylethanolamines; secondary alcohol; secondary amino compound
fpl 64176	[no description available]	medium	1	0	carboxylic ester; pyrroles	calcium channel agonist
furafylline	[no description available]	medium	2	0	oxopurine
furosemide	[no description available]	medium	3	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
fusaric acid	[no description available]	medium	1	0	aromatic carboxylic acid; pyridines
gabapentin	[no description available]	medium	1	0	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic
4-amino-5-hexynoic acid	[no description available]	medium	1	0
glipizide	[no description available]	medium	1	0	aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines	EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue
glyburide	[no description available]	medium	6	0	monochlorobenzenes; N-sulfonylurea	anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent
1-(5-isoquinolinesulfonyl)piperazine	[no description available]	medium	1	0	isoquinolines
haloperidol	[no description available]	medium	5	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
hemicholinium 3	[no description available]	medium	1	0	morpholines
4-fluorohexahydrosiladifenidol	[no description available]	medium	1	0
hydrochlorothiazide	[no description available]	medium	4	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
hydroxyurea	[no description available]	medium	3	0	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent
ibudilast	[no description available]	medium	1	0	pyrazolopyridine
ibuprofen	[no description available]	medium	1	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
ic 261	[no description available]	medium	1	0	indoles
ifenprodil	[no description available]	medium	1	0	piperidines
indirubin-3'-monoxime	[no description available]	medium	1	0
iodoacetamide	[no description available]	medium	1	0
4-piperidinecarboxylic acid	[no description available]	medium	1	0
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline	[no description available]	medium	1	0
jl 18	[no description available]	medium	1	0
nsc 664704	[no description available]	medium	2	0	indolobenzazepine; lactam; organobromine compound	cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector
ketoconazole	[no description available]	medium	2	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
ketoprofen	[no description available]	medium	2	0	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
kynurenic acid	[no description available]	medium	1	0	monohydroxyquinoline; quinolinemonocarboxylic acid	G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite
2-amino-3-phosphonopropionic acid	[no description available]	medium	1	0	alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids	human metabolite; metabotropic glutamate receptor antagonist
lamotrigine	[no description available]	medium	1	0	1,2,4-triazines; dichlorobenzene; primary arylamine	anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic
lansoprazole	[no description available]	medium	1	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
beta-lapachone	[no description available]	medium	2	0	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite
leflunomide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide	antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor
linopirdine	[no description available]	medium	1	0	indoles
loratadine	[no description available]	medium	1	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
loxoprofen	[no description available]	medium	1	0	cyclopentanones; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one	[no description available]	medium	1	0	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector
meclofenamate sodium anhydrous	[no description available]	medium	1	0	organic sodium salt
methiothepin	[no description available]	medium	1	0	aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound	antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist
methoctramine	[no description available]	medium	1	0	aromatic ether; tetramine	muscarinic antagonist
nocodazole	[no description available]	medium	1	0	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
3-Hydroxy-alpha-methyl-DL-tyrosine	[no description available]	medium	1	0	benzenes; monocarboxylic acid
metolazone	[no description available]	medium	1	0	organochlorine compound; quinazolines; sulfonamide	antihypertensive agent; diuretic; ion transport inhibitor
milrinone	[no description available]	medium	1	0	bipyridines; nitrile; pyridone	cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent
minoxidil	[no description available]	medium	2	0	dialkylarylamine; tertiary amino compound
mitotane	[no description available]	medium	1	0	diarylmethane
mitoxantrone	[no description available]	medium	1	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
ml 7	[no description available]	medium	1	0	N-sulfonyldiazepane; organoiodine compound	EC 2.7.11.18 (myosin-light-chain kinase) inhibitor
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide	[no description available]	medium	1	0	naphthalenes; organochlorine compound; primary amino compound; sulfonamide
n-bromoacetamide	[no description available]	medium	1	0
ethylmaleimide	[no description available]	medium	1	0	maleimides	anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor
fg 7142	[no description available]	medium	1	0	beta-carbolines
fenamic acid	[no description available]	medium	1	0	aminobenzoic acid; secondary amino compound	membrane transport modulator
n 0840	[no description available]	medium	1	0
nialamide	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
niclosamide	[no description available]	medium	1	0	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
nifedipine	[no description available]	high	3	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
niflumic acid	[no description available]	medium	1	0	aromatic carboxylic acid; pyridines
nilutamide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent
nimesulide	[no description available]	medium	1	0	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
nimodipine	[no description available]	high	2	0	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent
nipecotic acid	[no description available]	medium	1	0	beta-amino acid; piperidinemonocarboxylic acid
nitrendipine	[no description available]	medium	1	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
masoprocol	[no description available]	medium	1	0	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite
5-nitro-2-(3-phenylpropylamino)benzoic acid	[no description available]	medium	1	0	nitrobenzoic acid
ns 2028	[no description available]	medium	1	0
ns 1619	[no description available]	medium	1	0	(trifluoromethyl)benzenes; benzimidazoles; phenols	potassium channel opener
o(6)-benzylguanine	[no description available]	medium	1	0
ofloxacin	[no description available]	medium	1	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
olomoucine	[no description available]	medium	1	0	2,6-diaminopurines; ethanolamines	EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
oxaprozin	[no description available]	medium	1	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxatomide	[no description available]	medium	1	0	benzimidazoles; diarylmethane; N-alkylpiperazine	anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist
oxiracetam	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
oxolinic acid	[no description available]	medium	1	0	aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor
quinone	[no description available]	medium	1	0	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite
fenclonine	[no description available]	medium	1	0	phenylalanine derivative
palmidrol	[no description available]	medium	1	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine	anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent
pd 98059	[no description available]	medium	1	0	aromatic amine; monomethoxyflavone	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
pentamidine	[no description available]	medium	1	0	aromatic ether; carboxamidine; diether	anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic
pentoxifylline	[no description available]	medium	609	0	oxopurine
pentoxifylline	[no description available]	medium	609	99	oxopurine
perphenazine	[no description available]	medium	1	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenyl biguanide	[no description available]	medium	1	0	guanidines	central nervous system drug
phenylbutazone	[no description available]	medium	4	0	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
phloretin	[no description available]	medium	2	0	dihydrochalcones	antineoplastic agent; plant metabolite
picotamide	[no description available]	medium	1	0	benzamides
pinacidil	[no description available]	medium	1	0	pyridines
pindolol	[no description available]	medium	1	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
piperidine-4-sulfonic acid	[no description available]	medium	1	0
piracetam	[no description available]	medium	5	0	organonitrogen compound; organooxygen compound
piracetam	[no description available]	medium	5	2	organonitrogen compound; organooxygen compound
pirenperone	[no description available]	medium	1	0	aromatic ketone
praziquantel	[no description available]	medium	1	0	isoquinolines
primidone	[no description available]	medium	3	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
proglumide	[no description available]	medium	1	0	benzamides; dicarboxylic acid monoamide; glutamine derivative; racemate	anti-ulcer drug; cholecystokinin antagonist; cholinergic antagonist; delta-opioid receptor agonist; drug metabolite; gastrointestinal drug; opioid analgesic; xenobiotic metabolite
propentofylline	[no description available]	medium	16	0	oxopurine
propofol	[no description available]	medium	2	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
pf 5901	[no description available]	medium	1	0	quinolines
riluzole	[no description available]	medium	1	0	benzothiazoles
risperidone	[no description available]	medium	2	0	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine	alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist
ritanserin	[no description available]	medium	1	0	organofluorine compound; piperidines; thiazolopyrimidine	antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone	[no description available]	medium	3	0	methoxybenzenes
rolipram	[no description available]	medium	1	0	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
salmeterol xinafoate	[no description available]	medium	1	0	ether; phenols; primary alcohol; secondary alcohol; secondary amino compound
sb 202190	[no description available]	medium	1	0	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sobuzoxane	[no description available]	medium	1	0	organic molecular entity
spiroxatrine	[no description available]	medium	1	0	imidazolidines
sq 22536	[no description available]	medium	1	0	nucleoside analogue; oxolanes	EC 4.6.1.1 (adenylate cyclase) inhibitor
sulfaphenazole	[no description available]	medium	1	0	primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor
sulpiride	[no description available]	medium	1	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
t0156	[no description available]	medium	1	0	naphthyridine derivative
1,4-bis(2-(3,5-dichloropyridyloxy))benzene	[no description available]	medium	1	0
terfenadine	[no description available]	medium	1	0	diarylmethane
tetraisopropylpyrophosphamide	[no description available]	medium	1	0	phosphoramide
thalidomide	[no description available]	medium	1	0	phthalimides; piperidones
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate	[no description available]	medium	1	0	trihydroxybenzoic acid
tolazamide	[no description available]	medium	1	0	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
tolbutamide	[no description available]	medium	1	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid	[no description available]	medium	1	0
ici 136,753	[no description available]	medium	1	0	pyrazolopyridine
triamterene	[no description available]	medium	1	0	pteridines	diuretic; sodium channel blocker
trimethoprim	[no description available]	medium	1	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
tropicamide	[no description available]	medium	1	0	acetamides
tyrphostin a9	[no description available]	medium	1	0	alkylbenzene	geroprotector
vigabatrin	[no description available]	medium	1	0	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine	[no description available]	medium	5	0
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole	[no description available]	medium	1	0	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
zardaverine	[no description available]	medium	1	0	organofluorine compound; pyridazinone	anti-asthmatic drug; bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; peripheral nervous system drug
cortisone acetate	[no description available]	medium	1	0	corticosteroid hormone
corticosterone	[no description available]	high	4	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
reserpine	[no description available]	high	9	0	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic
procaine hydrochloride	[no description available]	medium	1	0	organic molecular entity
isoproterenol hydrochloride	[no description available]	medium	1	0	catechols
histamine dihydrochloride	[no description available]	medium	1	0
carbachol	[no description available]	medium	3	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
spironolactone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
estrone	[no description available]	medium	1	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
androsterone	[no description available]	medium	1	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid	androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone
promazine hydrochloride	[no description available]	medium	1	0	hydrochloride
pilocarpine hydrochloride	[no description available]	medium	2	0	hydrochloride
dimethylphenylpiperazinium iodide	[no description available]	medium	1	0	N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt	nicotinic acetylcholine receptor agonist
pentylenetetrazole	[no description available]	medium	2	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
racepinephrine hydrochloride	[no description available]	medium	1	0
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride	[no description available]	medium	1	0
hexamethonium bromide	[no description available]	medium	1	0
cystamine dihydrochloride	[no description available]	medium	1	0
cantharidin	[no description available]	medium	2	0	cyclic dicarboxylic anhydride; monoterpenoid	EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide
tetraethylammonium chloride	[no description available]	medium	1	0	organic chloride salt; quaternary ammonium salt	potassium channel blocker
aspartic acid	[no description available]	high	2	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
glutamine	[no description available]	medium	1	0	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
vincristine	[no description available]	medium	1	0	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
physostigmine	[no description available]	medium	2	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
apomorphine	[no description available]	medium	2	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
promethazine hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative
bromodeoxyuridine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
levodopa	[no description available]	high	2	0	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
methoxamine hydrochloride	[no description available]	medium	1	0	dimethoxybenzene
papaverine hydrochloride	[no description available]	medium	2	0
bretylium tosylate	[no description available]	medium	2	0	organosulfonate salt; quaternary ammonium salt	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent
berlition	[no description available]	medium	1	0	dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid	cofactor; nutraceutical; prosthetic group
methacholine chloride	[no description available]	medium	2	0	quaternary ammonium salt
androstenedione	[no description available]	medium	1	0	17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
colchicine	[no description available]	medium	7	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
yohimbine hydrochloride	[no description available]	medium	2	0
gallamine triethiodide	[no description available]	medium	1	0
cycloheximide	[no description available]	medium	3	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
egtazic acid	[no description available]	medium	1	0	diether; tertiary amino compound; tetracarboxylic acid	chelator
cycloserine	[no description available]	medium	1	0	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
17-alpha-hydroxyprogesterone	[no description available]	medium	1	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin
quinacrine monohydrochloride	[no description available]	medium	1	0
chlorpromazine hydrochloride	[no description available]	medium	1	0	hydrochloride; phenothiazines	anticoronaviral agent; phenothiazine antipsychotic drug
cytarabine hydrochloride	[no description available]	medium	1	0
tryptophan	[no description available]	high	4	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
lidocaine hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug; local anaesthetic
arginine	[no description available]	high	4	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
rotenone	[no description available]	medium	2	0	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
synephrine	[no description available]	medium	1	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
pyridostigmine bromide	[no description available]	medium	1	0	pyridinium salt
imipramine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant
neostigmine bromide	[no description available]	medium	1	0	bromide salt
edrophonium chloride	[no description available]	medium	1	0	chloride salt; quaternary ammonium salt	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
suramin sodium	[no description available]	medium	1	0	organic sodium salt	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
pyrazolanthrone	[no description available]	medium	1	0	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
methapyrilene hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
tetrracaine hydrochloride	[no description available]	medium	1	0	benzoate ester
chelidamic acid	[no description available]	medium	1	0
2-chloroadenosine	[no description available]	medium	7	0	purine nucleoside
diphenhydramine hydrochloride	[no description available]	medium	5	0	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative
diphenhydramine hydrochloride	[no description available]	medium	5	1	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative
cysteamine hydrochloride	[no description available]	medium	1	0
propantheline bromide	[no description available]	medium	1	0	xanthenes
hydralazine hydrochloride	[no description available]	medium	1	0	hydrochloride	antihypertensive agent; vasodilator agent
ethamivan	[no description available]	medium	2	0	methoxybenzenes; phenols
ethamivan	[no description available]	medium	2	1	methoxybenzenes; phenols
pargyline hydrochloride	[no description available]	medium	1	0
aminophylline	[no description available]	high	25	1	mixture	bronchodilator agent; cardiotonic drug
aminophylline	[no description available]	high	25	0	mixture	bronchodilator agent; cardiotonic drug
azacitidine	[no description available]	medium	1	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
orphenadrine hydrochloride	[no description available]	medium	1	0	hydrochloride	antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
betamethasone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide	[no description available]	medium	1	0
cyproterone acetate	[no description available]	medium	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin
bicuculline	[no description available]	medium	4	0	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin
kainic acid	[no description available]	medium	3	0	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
podophyllotoxin	[no description available]	medium	2	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
tetrahydrozoline hydrochloride	[no description available]	medium	1	0	hydrochloride	nasal decongestant; sympathomimetic agent; vasoconstrictor agent
dequalinium chloride	[no description available]	medium	1	0	organic chloride salt	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor
decamethonium dibromide	[no description available]	medium	1	0
amitriptyline hydrochloride	[no description available]	medium	1	0	organic tricyclic compound
naphazoline hydrochloride	[no description available]	medium	1	0	organic molecular entity
doxylamine succinate	[no description available]	medium	1	0	organic molecular entity
carbamylhydrazine monohydrochloride	[no description available]	medium	1	0	organic molecular entity
formestane	[no description available]	medium	1	0	17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
debrisoquin sulfate	[no description available]	medium	1	0	organic sulfate salt
betaine hydrochloride	[no description available]	medium	1	0
bethanechol chloride	[no description available]	medium	1	0	carbamate ester; chloride salt; quaternary ammonium salt	muscarinic agonist
acetylcysteine	[no description available]	medium	3	0	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
Mecamylamine hydrochloride	[no description available]	medium	1	0	monoterpenoid
vinblastine	[no description available]	medium	1	0
cyproheptadine hydrochloride (anhydrous)	[no description available]	medium	1	0	hydrochloride
5 alpha-androstane-3 alpha,17 beta-diol	[no description available]	medium	1	0	androstane-3alpha,17beta-diol	Daphnia magna metabolite; human metabolite
pimozide	[no description available]	medium	1	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
azetidyl-2-carboxylic acid	[no description available]	medium	1	0	azetidine-2-carboxylic acid
muscarine	[no description available]	medium	2	0
antazoline hydrochloride	[no description available]	medium	1	0
doxifluridine	[no description available]	medium	1	0	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
meclofenoxate hydrochloride	[no description available]	medium	1	0
clonidine hydrochloride	[no description available]	medium	1	0	dichlorobenzene
beclomethasone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug
buthionine sulfoximine	[no description available]	medium	1	0	diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
mexiletine hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug
cyclophosphamide	[no description available]	medium	1	0	hydrate	alkylating agent; antineoplastic agent; carcinogenic agent; immunosuppressive agent
suxamethonium chloride	[no description available]	medium	1	0	chloride salt	muscle relaxant
cyclobenzaprine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; muscle relaxant
n-methylaspartate	[no description available]	medium	3	0	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
3-deazaadenosine	[no description available]	medium	1	0
metoclopramide hydrochloride	[no description available]	medium	1	0
isoetharine mesylate	[no description available]	medium	1	0
zalcitabine	[no description available]	medium	1	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
propionylpromazine hydrochloride	[no description available]	medium	1	0
camptothecin	[no description available]	high	3	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
nsc-145,668	[no description available]	medium	1	0	hydrochloride	antimetabolite; antineoplastic agent
clodronic acid	[no description available]	medium	1	0	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
benserazide hydrochloride	[no description available]	medium	1	0	hydrochloride	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
pancuronium bromide	[no description available]	medium	1	0	bromide salt	cholinergic antagonist; muscle relaxant; nicotinic antagonist
tetradecanoylphorbol acetate	[no description available]	high	4	0	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator
danazol	[no description available]	medium	1	0	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
metergoline	[no description available]	medium	1	0	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist
lisuride	[no description available]	medium	1	0	monocarboxylic acid amide	antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist
disopyramide phosphate	[no description available]	medium	1	0	organoammonium phosphate
bromocriptine	[no description available]	medium	2	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
ergocristine	[no description available]	medium	1	0	ergot alkaloid
triamcinolone	[no description available]	medium	1	0	11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
zidovudine	[no description available]	medium	1	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
paclitaxel	[no description available]	medium	3	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
buspirone hydrochloride	[no description available]	medium	1	0	hydrochloride	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
etoposide	[no description available]	medium	2	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
propafenone hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug
etazolate hydrochloride	[no description available]	medium	1	0
butaclamol	[no description available]	medium	1	0	amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound	dopaminergic antagonist
ribavirin	[no description available]	medium	1	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
carbidopa	[no description available]	medium	1	0	catechols; hydrate; hydrazines; monocarboxylic acid	antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
cephradine	[no description available]	medium	2	0	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug
methyldopa	[no description available]	medium	3	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
lonidamine	[no description available]	medium	1	0	dichlorobenzene; indazoles; monocarboxylic acid	antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector
dexibuprofen	[no description available]	medium	1	0	ibuprofen	non-narcotic analgesic; non-steroidal anti-inflammatory drug
quisqualic acid	[no description available]	medium	2	0	non-proteinogenic alpha-amino acid
pirfenidone	[no description available]	medium	1	0	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flecainide acetate	[no description available]	medium	1	0	acetate salt	anti-arrhythmia drug
nicardipine hydrochloride	[no description available]	medium	1	0	dihydropyridine	geroprotector
idarubicin	[no description available]	medium	1	0	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
captopril	[no description available]	medium	1	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
terazosin hydrochloride anhydrous	[no description available]	medium	1	0
pergolide mesylate	[no description available]	medium	1	0	methanesulfonate salt	antiparkinson drug; dopamine agonist; geroprotector
ranitidine hydrochloride	[no description available]	medium	1	0
colforsin	[no description available]	high	7	0	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist
cefaclor anhydrous	[no description available]	medium	1	0	cephalosporin	antibacterial drug; drug allergen
alo 2145	[no description available]	medium	1	0	hydrochloride	alpha-adrenergic agonist; antiglaucoma drug
enoximone	[no description available]	medium	1	0	aromatic ketone
atomoxetine	[no description available]	medium	1	0	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic
raloxifene hydrochloride	[no description available]	medium	1	0	hydrochloride	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
mifepristone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
quinpirole hydrochloride	[no description available]	medium	1	0
imazodan	[no description available]	medium	1	0
mibefradil dihydrochloride	[no description available]	medium	1	0
aptiganel hydrochloride	[no description available]	medium	1	0
adenosine	[no description available]	high	153	1	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
adenosine	[no description available]	high	153	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
phenelzine sulfate	[no description available]	medium	1	0	organic molecular entity
fluoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
propranolol hydrochloride	[no description available]	medium	1	0	hydrochloride
bupropion hydrochloride	[no description available]	medium	1	0	aromatic ketone
diltiazem hydrochloride	[no description available]	medium	1	0	hydrochloride	antihypertensive agent; calcium channel blocker; vasodilator agent
trazodone hydrochloride	[no description available]	medium	3	0	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
verapamil hydrochloride	[no description available]	medium	1	0
doxazosin mesylate	[no description available]	medium	1	0	methanesulfonate salt	geroprotector
amantadine hydrochloride	[no description available]	medium	1	0	hydrochloride	antiviral agent; dopamine agonist; NMDA receptor antagonist
mevastatin	[no description available]	medium	2	0	2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite
chloroquine diphosphate	[no description available]	medium	1	0
dobutamine hydrochloride	[no description available]	medium	1	0	hydrochloride	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
desipramine hydrochloride	[no description available]	medium	1	0	hydrochloride	drug allergen
dopamine hydrochloride	[no description available]	medium	1	0	catecholamine
proadifen hydrochloride	[no description available]	medium	1	0
4-nitrobenzylthioinosine	[no description available]	medium	4	0	purine nucleoside
metrifudil	[no description available]	medium	1	0
rutecarpine	[no description available]	medium	3	0	beta-carbolines
trihexyphenidyl hydrochloride	[no description available]	medium	1	0	aralkylamine
thioridazine hydrochloride	[no description available]	medium	1	0	hydrochloride	first generation antipsychotic; geroprotector
procainamide hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug
siquil	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent
sotalol hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug; beta-adrenergic antagonist
oxymetazoline hydrochloride	[no description available]	medium	1	0	hydrochloride	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
alprenolol hydrochloride	[no description available]	medium	1	0	hydrochloride
2-methoxyestradiol	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
fluphenazine hydrochloride	[no description available]	medium	1	0	phenothiazines	anticoronaviral agent
tryptamine monohydrochloride	[no description available]	medium	1	0
clomipramine hydrochloride	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug
amiloride hydrochloride	[no description available]	medium	1	0	hydrate	diuretic; sodium channel blocker
prazosin hydrochloride	[no description available]	medium	1	0	hydrochloride
mianserin hydrochloride	[no description available]	medium	1	0	hydrochloride	geroprotector
lomefloxacin hydrochloride	[no description available]	medium	1	0	hydrochloride	antimicrobial agent; antitubercular agent; photosensitizing agent
fenspiride hydrochloride	[no description available]	medium	1	0
nilverm	[no description available]	medium	1	0	organic molecular entity
sanguinarine chloride	[no description available]	medium	1	0
ropinirole hydrochloride	[no description available]	medium	1	0	indoles
plasmenylserine	[no description available]	medium	1	0	O-phosphoserine	EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor; EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
5-aminovaleric acid hydrochloride	[no description available]	medium	1	0
n-acetyltryptamine	[no description available]	medium	1	0	acetamides; indoles
D-serine	[no description available]	medium	1	0	D-alpha-amino acid; serine zwitterion; serine	Escherichia coli metabolite; human metabolite; NMDA receptor agonist
dihydroergotamine mesylate	[no description available]	medium	1	0	methanesulfonate salt	non-narcotic analgesic; serotonergic agonist; vasoconstrictor agent
ranolazine hydrochloride	[no description available]	medium	1	0
loxapine succinate	[no description available]	medium	1	0	succinate salt	geroprotector
guanfacine hydrochloride	[no description available]	medium	1	0	acetamides	geroprotector
pirenzepine dihydrochloride	[no description available]	medium	1	0	hydrochloride
labetalol hydrochloride	[no description available]	medium	1	0	salicylamides
acecainide hydrochloride	[no description available]	medium	1	0
loperamide hydrochloride	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
maprotiline hydrochloride	[no description available]	medium	1	0	anthracenes
protoporphyrin ix, disodium salt	[no description available]	medium	1	0
siguazodan	[no description available]	medium	1	0	pyridazinone
3-octadecanamido-2-ethoxypropylphosphocholine	[no description available]	medium	1	0
chelerythrine chloride	[no description available]	medium	2	0
tosyllysine chloromethyl ketone	[no description available]	medium	1	0
5-(n-methyl-n-isobutyl)amiloride	[no description available]	medium	1	0
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride	[no description available]	medium	1	0	hydrochloride	EC 2.7.11.13 (protein kinase C) inhibitor
amperozide hydrochloride	[no description available]	medium	1	0	hydrochloride	anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist
pyrrolidine dithiocarbamic acid	[no description available]	medium	1	0
agroclavine	[no description available]	medium	1	0	ergot alkaloid
s-methylisothiourea sulfate	[no description available]	medium	1	0
p-Aminobenzamidine dihydrochloride	[no description available]	medium	1	0	organic molecular entity
benzamidine hydrochloride	[no description available]	medium	1	0
ketorolac tromethamine	[no description available]	medium	1	0	organoammonium salt	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor
methionine sulfoximine	[no description available]	medium	1	0	L-alpha-amino acid zwitterion; L-methionine derivative; methionine sulfoximine; non-proteinogenic L-alpha-amino acid	EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor; geroprotector
tretazicar	[no description available]	medium	1	0
carbetapentane citrate	[no description available]	medium	1	0	carbonyl compound
phentolamine mesylate	[no description available]	medium	1	0
mephentermine	[no description available]	medium	1	0	2-aminooctadecane-1,3-diol	EC 2.7.11.13 (protein kinase C) inhibitor; human metabolite; mouse metabolite
oxybutynin hydrochloride	[no description available]	medium	1	0	hydrochloride
nimustine	[no description available]	medium	1	0	hydrochloride	antineoplastic agent
cordium	[no description available]	medium	1	0	hydrate; hydrochloride
L-2-aminoadipic acid	[no description available]	medium	1	0	2-aminoadipic acid	Escherichia coli metabolite; human metabolite
prilocaine hydrochloride	[no description available]	medium	1	0	hydrochloride	local anaesthetic
mor-14	[no description available]	medium	1	0	hydroxypiperidine; piperidine alkaloid; tertiary amino compound	anti-HIV agent; cardioprotective agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite
brexanolone	[no description available]	medium	1	0	3-hydroxy-5alpha-pregnan-20-one	antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative
phenylisopropyladenosine	[no description available]	medium	1	0	aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound	adenosine A1 receptor agonist; neuroprotective agent
hexamethonium chloride	[no description available]	medium	1	0
6-(4-nitrobenzylthio)guanosine	[no description available]	medium	1	0
3-aminopropylphosphonic acid	[no description available]	medium	1	0	phosphonic acids; primary amino compound; zwitterion	GABAB receptor agonist
5'-n-methylcarboxamideadenosine	[no description available]	medium	1	0
3,7-dimethyl-1-propargylxanthine	[no description available]	medium	182	0
3,7-dimethyl-1-propargylxanthine	[no description available]	medium	182	1
zpck	[no description available]	medium	1	0
n(6)-phenyladenosine	[no description available]	medium	1	0	purine nucleoside
tetrahydrodeoxycorticosterone	[no description available]	medium	1	0	21-hydroxy steroid
n-methyladenosine	[no description available]	medium	1	0	methyladenosine
mizoribine	[no description available]	medium	1	0	imidazoles	anticoronaviral agent
1-amino-1,3-dicarboxycyclopentane	[no description available]	medium	1	0
u 73122	[no description available]	medium	1	0	aromatic ether; aza-steroid; maleimides	EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor
alphaxalone	[no description available]	medium	1	0	corticosteroid hormone
s-nitrosoglutathione	[no description available]	medium	1	0	glutathione derivative; nitrosothio compound	bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule
cp-55,940	[no description available]	medium	1	0
vanoxerine	[no description available]	medium	1	0	hydrochloride	dopamine uptake inhibitor
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate	[no description available]	medium	1	0	beta-carbolines
u 69593	[no description available]	medium	1	0	monocarboxylic acid amide; N-alkylpyrrolidine; organic heterobicyclic compound; oxaspiro compound	anti-inflammatory agent; diuretic; kappa-opioid receptor agonist
cv 3988	[no description available]	medium	1	0
beta-carboline-3-carboxylic acid methyl ester	[no description available]	medium	1	0	beta-carbolines
methoctramine	[no description available]	medium	1	0	hydrochloride	muscarinic antagonist
hypotaurine	[no description available]	medium	1	0	aminosulfinic acid; zwitterion	human metabolite; metabolite; mouse metabolite
dihydrokainate	[no description available]	medium	1	0	dicarboxylic acid
gabazine	[no description available]	medium	1	0
cl 218872	[no description available]	medium	1	0	pyridazines; ring assembly
betaxolol hydrochloride	[no description available]	medium	1	0	hydrochloride	antihypertensive agent; beta-adrenergic antagonist
catechin	[no description available]	medium	2	0	hydrate	geroprotector
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine	[no description available]	medium	1	0	hydrobromide	serotonergic antagonist
s-methylthiocitrulline	[no description available]	medium	1	0	imidothiocarbamic ester; L-arginine derivative; L-ornithine derivative; non-proteinogenic L-alpha-amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; neuroprotective agent
dihydrocapsaicin	[no description available]	medium	1	0	capsaicinoid
ml 9	[no description available]	medium	1	0
parthenolide	[no description available]	medium	2	0	germacranolide
3',4'-dichlorobenzamil	[no description available]	medium	1	0	guanidines; pyrazines
1-(carboxymethylthio)tetradecane	[no description available]	medium	1	0	straight-chain fatty acid
2-iodomelatonin	[no description available]	medium	1	0	acetamides
arcaine, sulfate	[no description available]	medium	1	0
gr 113808	[no description available]	medium	1	0	indolyl carboxylate ester; piperidines; sulfonamide	serotonergic antagonist
gallopamil hydrochloride	[no description available]	medium	1	0
gamma-glutamylaminomethylsulfonic acid	[no description available]	medium	1	0
buthionine sulfoximine	[no description available]	medium	1	0	2-amino-4-(S-butylsulfonimidoyl)butanoic acid	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
sb 204070a	[no description available]	medium	1	0
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine	[no description available]	medium	1	0	(trifluoromethyl)benzenes; N-alkylpiperazine; N-arylpiperazine; primary arylamine; substituted aniline	geroprotector; serotonergic agonist
l 655240	[no description available]	medium	1	0	methylindole
san 58035	[no description available]	medium	1	0
nnc 711	[no description available]	medium	1	0
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide	[no description available]	medium	1	0	diarylmethane
e 64	[no description available]	medium	2	0	dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion	antimalarial; antiparasitic agent; protease inhibitor
azetidine-2,4-dicarboxylic acid	[no description available]	medium	1	0
pre 084	[no description available]	medium	1	0	morpholines
methotrexate	[no description available]	medium	6	0	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent
1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol	[no description available]	medium	1	0
sr 2640	[no description available]	medium	1	0	quinolines
ici 204448	[no description available]	medium	1	0
4-amino-1-(6-chloro-2-pyridyl)piperidine hydrochloride	[no description available]	medium	1	0
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide	[no description available]	medium	1	0	phenylindole
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan	[no description available]	medium	1	0
8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine	[no description available]	medium	1	0
l 741626	[no description available]	medium	1	0	piperidines
nisoxetine hydrochloride	[no description available]	medium	1	0
ng-nitroarginine methyl ester	[no description available]	medium	1	0	hydrochloride	EC 1.14.13.39 (nitric oxide synthase) inhibitor
tilarginine acetate	[no description available]	medium	1	0
alpha-guanidinoglutaric acid	[no description available]	medium	1	0	L-glutamic acid derivative
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer	[no description available]	medium	1	0
imidazole-4-acetic acid hydrochloride	[no description available]	medium	1	0
nsc-141549	[no description available]	medium	1	0
2-chloro-2-deoxyglucose	[no description available]	medium	1	0
idazoxan hydrochloride	[no description available]	medium	1	0
isoguvacine hydrochloride	[no description available]	medium	1	0
8-methoxymethyl-3-isobutyl-1-methylxanthine	[no description available]	medium	1	0	oxopurine
cyc 202	[no description available]	medium	1	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
Serotonin hydrochloride	[no description available]	medium	1	0	tryptamines
n-phthaloylglutamic acid	[no description available]	medium	1	0	L-glutamic acid derivative; phthalimides
1,3-dipropyl-7-methylxanthine	[no description available]	medium	1	0
ag 3-5	[no description available]	medium	1	0	C-nitro compound
n-n-propylnorapomorphine	[no description available]	medium	1	0	aporphine alkaloid
urapidil monohydrochloride	[no description available]	medium	1	0
aminopterin	[no description available]	medium	1	0	dicarboxylic acid	EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen
azepexole, dihydrochloride	[no description available]	medium	1	0
2,5-dimethoxy-4-iodoamphetamine hydrochloride	[no description available]	medium	1	0
abt 980	[no description available]	medium	1	0
sk&f 75670	[no description available]	medium	1	0
esatenolol	[no description available]	medium	1	0	atenolol	beta-adrenergic antagonist
nbi 27914	[no description available]	medium	1	0	dialkylarylamine; tertiary amino compound
sb 216763	[no description available]	medium	1	0	indoles; maleimides
(R)-atenolol	[no description available]	medium	1	0	atenolol
memantine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
pefabloc	[no description available]	medium	1	0
pongidae	[no description available]	medium	1	0
succinylproline	[no description available]	medium	1	0	N-acyl-amino acid
sb 205384	[no description available]	medium	1	0	thienopyridine
hydrastine	[no description available]	medium	1	0	isoquinolines	metabolite
gabaculine hydrochloride	[no description available]	medium	1	0
etiron monohydrobromide	[no description available]	medium	1	0
bmy 7378	[no description available]	medium	1	0
vesamicol	[no description available]	medium	1	0
cortisone	[no description available]	high	3	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
vincristine sulfate	[no description available]	medium	2	0	organic sulfate salt	antineoplastic agent; geroprotector
n-methylserotonin oxalate salt	[no description available]	medium	1	0
nsc 95397	[no description available]	medium	1	0	1,4-naphthoquinones
wortmannin	[no description available]	medium	2	0	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent
lithium chloride	[no description available]	medium	1	0	inorganic chloride; lithium salt	antimanic drug; geroprotector
canavanine	[no description available]	medium	1	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	phytogenic insecticide; plant metabolite
5-hydroxytryptophan	[no description available]	medium	1	0	5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; plant metabolite
ouabain	[no description available]	medium	2	0	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
tosylphenylalanyl chloromethyl ketone	[no description available]	medium	1	0	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor
monoiodotyrosine	[no description available]	medium	1	0	amino acid zwitterion; L-tyrosine derivative; monoiodotyrosine; non-proteinogenic L-alpha-amino acid	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; human metabolite; mouse metabolite
nitroarginine	[no description available]	medium	2	0	guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid
willardiine	[no description available]	medium	1	0	amino acid zwitterion; L-alanine derivative; non-proteinogenic L-alpha-amino acid
cortodoxone	[no description available]	medium	1	0	deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
amiodarone hydrochloride	[no description available]	medium	1	0	aromatic ketone
dicyclomine hydrochloride	[no description available]	medium	1	0	hydrochloride	antispasmodic drug; muscarinic antagonist
metyrosine	[no description available]	medium	1	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
nortriptyline hydrochloride	[no description available]	medium	1	0	organic tricyclic compound	geroprotector
paromomycin sulfate	[no description available]	medium	1	0
Dubinidine	[no description available]	medium	2	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
cyclopamine	[no description available]	medium	2	0	piperidines	glioma-associated oncogene inhibitor
s-(4-azidophenacyl)glutathione	[no description available]	medium	1	0	peptide
hydroxylamine hydrochloride	[no description available]	medium	1	0	organic molecular entity
sb 228357	[no description available]	medium	1	0	indolyl carboxylic acid
3,5-dihydroxyphenylglycine	[no description available]	medium	1	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid; resorcinols
actinonin	[no description available]	medium	1	0
vinpocetine	[no description available]	medium	4	0	alkaloid	geroprotector
vinpocetine	[no description available]	medium	4	1	alkaloid	geroprotector
dihydroergocristine monomesylate	[no description available]	medium	2	0	methanesulfonate salt	alpha-adrenergic antagonist; geroprotector; vasodilator agent
tretinoin	[no description available]	medium	2	0	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
resveratrol	[no description available]	medium	2	0	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
oleic acid	[no description available]	high	11	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
thapsigargin	[no description available]	medium	2	0	butyrate ester; organic heterotricyclic compound; sesquiterpene lactone	calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
brivudine	[no description available]	medium	1	0
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol	[no description available]	medium	1	0	carbotetracyclic compound; polyphenol	estrogen receptor agonist; estrogen receptor antagonist; geroprotector; neuroprotective agent
2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid	[no description available]	medium	1	0
adenosine-5'-(n-ethylcarboxamide)	[no description available]	high	21	1	adenosines; monocarboxylic acid amide	adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
adenosine-5'-(n-ethylcarboxamide)	[no description available]	high	21	0	adenosines; monocarboxylic acid amide	adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
L-cycloserine	[no description available]	medium	2	0	4-amino-1,2-oxazolidin-3-one	anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
1,4-dideoxy-1,4-imino-d-arabinitol	[no description available]	medium	1	0
purvalanol a	[no description available]	medium	1	0	purvalanol
melphalan	[no description available]	medium	2	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
isoliquiritigenin	[no description available]	medium	1	0	chalcones	antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist
rauwolscine	[no description available]	medium	2	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate
gw9662	[no description available]	medium	1	0	benzamides
calmidazolium	[no description available]	medium	1	0	organic chloride salt	apoptosis inducer; calmodulin antagonist
tropisetron hydrochloride	[no description available]	medium	1	0
Reactive blue 2	[no description available]	medium	1	0	anthraquinone
5,6-dichloro-1-ethyl-1,3-dihydro-2h-benzimidazol-2-one	[no description available]	medium	1	0	dichlorobenzene
quinidine sulfate	[no description available]	medium	1	0
ipratropium bromide anhydrous	[no description available]	medium	1	0
methamilane methiodide	[no description available]	medium	1	0
pilocarpine nitrate	[no description available]	medium	1	0
r 59949	[no description available]	medium	1	0	diarylmethane
n(6)-cyclopentyladenosine	[no description available]	medium	23	0
methylatropine nitrate	[no description available]	medium	1	0
sb 366791	[no description available]	medium	1	0
ag-213	[no description available]	medium	1	0
3,3',4,5'-tetrahydroxystilbene	[no description available]	medium	2	0	catechols; polyphenol; resorcinols; stilbenol	antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor
bemesetron	[no description available]	medium	1	0
(S)-(-)-pindolol	[no description available]	medium	1	0	pindolol
levosulpiride	[no description available]	medium	1	0	sulpiride	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
caffeic acid	[no description available]	medium	4	0	caffeic acid	geroprotector; mouse metabolite
4-fluorophenyl-L-alanine	[no description available]	medium	1	0	4-fluorophenylalanine; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid
urocanic acid	[no description available]	medium	1	0	urocanic acid	human metabolite
cotinine	[no description available]	high	3	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
cinnarizine	[no description available]	medium	3	0	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
cinnarizine	[no description available]	medium	3	2	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
sulindac	[no description available]	medium	2	0	monocarboxylic acid; organofluorine compound; sulfoxide	analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent
cysteine sulfinic acid	[no description available]	medium	1	0	organosulfinic acid; S-substituted L-cysteine	Escherichia coli metabolite; human metabolite; metabotropic glutamate receptor agonist; mouse metabolite
d-ap7	[no description available]	medium	1	0
(1R,2S)-tranylcypromine hydrochloride	[no description available]	medium	1	0	hydrochloride
tacrine hydrochloride	[no description available]	medium	1	0
4-bromotetramisole, oxalate (1:1), salt(s)-isomer	[no description available]	medium	1	0
3-hydroxybenzylhydrazine hydrochloride	[no description available]	medium	1	0
1-(3-chlorophenyl)biguanide hydrochloride	[no description available]	medium	1	0
4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer	[no description available]	medium	1	0
capsazepine	[no description available]	medium	1	0	benzazepine; catechols; monochlorobenzenes; thioureas	capsaicin receptor antagonist
diphenyleneiodium chloride	[no description available]	medium	1	0	organic chloride salt	EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; G-protein-coupled receptor agonist
azetidine-2,4-dicarboxylic acid, (cis)-isomer	[no description available]	medium	1	0
tamoxifen citrate	[no description available]	medium	1	0	citrate salt	angiogenesis inhibitor; anticoronaviral agent
pimagedine hydrochloride	[no description available]	medium	1	0
Betaine Aldehyde Chloride	[no description available]	medium	1	0	quaternary ammonium salt
eskazine	[no description available]	medium	1	0
monastrol	[no description available]	medium	1	0	enoate ester; ethyl ester; phenols; racemate; thioureas	antileishmanial agent; antimitotic; antineoplastic agent; EC 3.5.1.5 (urease) inhibitor
u 0126	[no description available]	medium	1	0	aryl sulfide; dinitrile; enamine; substituted aniline	antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent
4-diphenylacetoxy-n-methylpiperidine methiodide	[no description available]	medium	1	0	iodide salt; quaternary ammonium salt	cholinergic antagonist; muscarinic antagonist
1-(4-hydroxybenzyl)imidazole-2-thiol	[no description available]	medium	1	0
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide	[no description available]	medium	2	0
bp 897	[no description available]	medium	1	0	naphthalenecarboxamide
trequinsin hydrochloride	[no description available]	medium	1	0
neboglamine	[no description available]	medium	1	0
benzatropine methanesulfonate	[no description available]	medium	1	0
sb 203186	[no description available]	medium	1	0	indolyl carboxylic acid
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea	[no description available]	medium	1	0	1,2-thiazoles; indoles; ureas	receptor modulator; serotonergic antagonist
gw 7647	[no description available]	medium	1	0	aryl sulfide; monocarboxylic acid; ureas	PPARalpha agonist
ro 41-0960	[no description available]	medium	1	0
cgp 13501	[no description available]	medium	1	0	alkylbenzene
n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide	[no description available]	medium	1	0
brl 15572	[no description available]	medium	1	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; secondary alcohol	geroprotector; serotonergic antagonist
mrs 1523	[no description available]	medium	1	0
or486	[no description available]	medium	1	0
fg 9041	[no description available]	medium	1	0	quinoxaline derivative
iik7	[no description available]	medium	1	0
sb 415286	[no description available]	medium	1	0	C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline	antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent
dm 235	[no description available]	medium	1	0
jhw 015	[no description available]	medium	1	0	indolecarboxamide
bw 723c86	[no description available]	medium	1	0	tryptamines
sc 560	[no description available]	medium	1	0	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug
sc-19220	[no description available]	medium	1	0	aromatic ether
le 300	[no description available]	medium	1	0	indoles
ly 367265	[no description available]	medium	1	0	dihydropyridine; fluoroindole; tertiary amino compound; thiadiazoloquinoline	antidepressant; geroprotector; serotonergic antagonist; serotonin uptake inhibitor
diclofenac sodium	[no description available]	medium	1	0	organic sodium salt
cgp 7930	[no description available]	medium	1	0	alkylbenzene
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole	[no description available]	medium	1	0	phenols; pyrazoles	estrogen receptor agonist
sib 1757	[no description available]	medium	1	0
sphingosine	[no description available]	medium	1	0	sphing-4-enine	human metabolite; mouse metabolite
apigenin	[no description available]	medium	2	0	trihydroxyflavone	antineoplastic agent; metabolite
luteolin	[no description available]	medium	2	0	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
daphnetin	[no description available]	medium	1	0	hydroxycoumarin
genistein	[no description available]	medium	2	0	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
pulmicort	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; bronchodilator agent; drug allergen
timolol maleate	[no description available]	medium	1	0	maleate salt	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
brompheniramine maleate	[no description available]	medium	1	0	maleate salt	anti-allergic agent
chlorpheniramine maleate	[no description available]	medium	1	0	organic molecular entity
clemastine fumarate	[no description available]	medium	1	0	fumarate salt	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
methylergonovine maleate	[no description available]	medium	1	0	ergoline alkaloid	geroprotector
astaxanthine	[no description available]	medium	1	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
harman	[no description available]	medium	1	0	harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
morin	[no description available]	medium	2	0	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent
myricetin	[no description available]	medium	2	0	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite
daidzein	[no description available]	medium	2	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
caffeic acid phenethyl ester	[no description available]	medium	2	0	alkyl caffeate ester	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent
rottlerin	[no description available]	medium	2	0	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite
flupenthixol	[no description available]	medium	1	0	flupenthixol	dopaminergic antagonist
n-oleoyldopamine	[no description available]	medium	1	0	catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide	TRPV1 agonist
pheniramine maleate	[no description available]	medium	1	0	organic molecular entity
tranilast	[no description available]	medium	1	0	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent
trimipramine maleate	[no description available]	medium	1	0	maleate salt	antidepressant
isotretinoin	[no description available]	medium	2	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
xylometazoline hydrochloride	[no description available]	medium	1	0
flunarizine hydrochloride	[no description available]	medium	1	0	diarylmethane
ketotifen fumarate	[no description available]	medium	1	0	organoammonium salt	anti-asthmatic drug; H1-receptor antagonist
cis-flupenthixol dihydrochloride	[no description available]	medium	1	0	hydrochloride	geroprotector
n-arachidonylglycine	[no description available]	medium	1	0	fatty amide; N-acylglycine
n-oleoylethanolamine	[no description available]	medium	1	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1	EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist
cyclosporine	[no description available]	medium	2	0	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite
phenoxybenzamine hydrochloride	[no description available]	medium	1	0	organic molecular entity
phenylephrine hydrochloride	[no description available]	medium	1	0	hydrochloride
mepyramine maleate	[no description available]	medium	1	0
brefeldin a	[no description available]	medium	2	0	macrolide antibiotic	Penicillium metabolite
fenretinide	[no description available]	medium	1	0	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid	[no description available]	medium	1	0	benzoic acids; naphthalenes; retinoid	antineoplastic agent; retinoic acid receptor agonist; teratogenic agent
l-2-(carboxypropyl)glycine	[no description available]	medium	1	0
4-aminocrotonic acid	[no description available]	medium	1	0
denopamine	[no description available]	medium	1	0	dimethoxybenzene
l 655,708	[no description available]	medium	1	0
ro 41-1049	[no description available]	medium	1	0
sb 200646a	[no description available]	medium	1	0
seglitide	[no description available]	medium	1	0
sib 1893	[no description available]	medium	1	0
su 6656	[no description available]	medium	1	0
tyrphostin ag 555	[no description available]	medium	1	0
tyrphostin ag-494	[no description available]	medium	1	0
tyrphostin b44	[no description available]	medium	1	0
ag-490	[no description available]	medium	1	0	catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide	anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor
ag 112	[no description available]	medium	1	0
ag 183	[no description available]	medium	1	0
semaxinib	[no description available]	medium	1	0	olefinic compound; oxindoles; pyrroles	angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
8-(3-chlorostyryl)caffeine	[no description available]	medium	3	0	monochlorobenzenes; trimethylxanthine	adenosine A2A receptor antagonist; EC 1.4.3.4 (monoamine oxidase) inhibitor
bay 11-7085	[no description available]	medium	1	0	benzenes; nitrile; sulfone	anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor
molsidomine	[no description available]	medium	1	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
diamide	[no description available]	medium	1	0	1,1'-azobis(N,N-dimethylformamide)
nomifensine maleate	[no description available]	medium	1	0
nalbuphine hydrochloride	[no description available]	medium	1	0	hydrochloride
isoalloxazine	[no description available]	medium	1	0	benzo[g]pteridine-2,4-dione
vinblastine sulfate	[no description available]	medium	2	0
n-methylscopolamine bromide	[no description available]	medium	1	0
dextromethorphan hydrobromide	[no description available]	medium	1	0	hydrate; hydrobromide
naloxone hydrochloride	[no description available]	medium	1	0	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
s-trans,trans-farnesylthiosalicylic acid	[no description available]	medium	1	0	sesquiterpenoid
sulindac sulfone	[no description available]	medium	1	0	monocarboxylic acid; organofluorine compound; sulfone	apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
naltrexone hydrochloride	[no description available]	medium	1	0	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
guanabenz acetate	[no description available]	medium	1	0	dichlorobenzene	geroprotector
nylidrin hydrochloride	[no description available]	medium	1	0	alkylbenzene
triprolidine hydrochloride anhydrous	[no description available]	medium	1	0	hydrochloride	H1-receptor antagonist
famotidine	[no description available]	medium	1	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
fenoterol	[no description available]	medium	1	0	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
tiapridex	[no description available]	medium	1	0	benzamides
quipazine maleate	[no description available]	medium	1	0
n-(2-aminoethyl)-4-chlorobenzamide hydrochloride	[no description available]	medium	1	0
tulobuterol hydrochloride	[no description available]	medium	1	0	organic molecular entity
hp 029	[no description available]	medium	1	0
n,n,n-trimethyl-1-(4-stilbenoxy)-2-propylammonium iodide	[no description available]	medium	1	0
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one	[no description available]	medium	2	0	naphthalenes
nf023	[no description available]	medium	1	0
nf 449	[no description available]	medium	1	0
7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine	[no description available]	medium	1	0
gr 46611	[no description available]	medium	1	0
diacetylmonoxime	[no description available]	medium	1	0
homatropine hydrobromide, (endo-(+-)-isomer)	[no description available]	medium	2	0
vancomycin hydrochloride	[no description available]	medium	1	0
moxisylyte hydrochloride	[no description available]	medium	1	0	monoterpenoid
dizocilpine maleate	[no description available]	medium	3	0	maleate salt; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
beta-aminopropionitrile fumarate	[no description available]	medium	1	0
flupirtine	[no description available]	medium	1	0
zimelidine hydrochloride	[no description available]	medium	1	0
pregna-4,17-diene-3,16-dione, (17z)-isomer	[no description available]	medium	1	0
su 4312	[no description available]	medium	1	0
gw 1929	[no description available]	medium	1	0	benzophenones
protriptyline hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant
n(4)-chloroacetylcytosine arabinoside	[no description available]	medium	1	0
n-(3-(cyclohexylidene-(1h-imidazol-4-ylmethyl))phenyl)ethanesulfonamide	[no description available]	medium	1	0
n-(4-amino-2-chlorophenyl)phthalimide	[no description available]	medium	1	0
cb 34	[no description available]	medium	1	0
b 43	[no description available]	medium	1	0	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
(8R)-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol	[no description available]	medium	1	0	aporphine alkaloid
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol	[no description available]	medium	1	0	aporphine alkaloid
3-(6-chloro-3-pyridazinyl)-3,8-diazabicyclo(3.2.1)octane	[no description available]	medium	1	0
2-(3,3-diphenylpropylamino)acetamide	[no description available]	medium	1	0	diarylmethane
4-(2-(phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide	[no description available]	medium	1	0
gw2974	[no description available]	medium	1	0	pyridopyrimidine
l 162313	[no description available]	medium	1	0
l-165041	[no description available]	medium	1	0	aromatic ketone
mrs 1754	[no description available]	medium	1	0	oxopurine
s-nitroso-n-acetylpenicillamine	[no description available]	medium	1	0	nitroso compound; nitrosothio compound	nitric oxide donor; vasodilator agent
pd 404182	[no description available]	medium	1	0
sb 222200	[no description available]	medium	1	0	quinolines
dantrolene sodium	[no description available]	medium	1	0
cr 2945	[no description available]	medium	1	0
sb 218795	[no description available]	medium	1	0	quinolines
dihydroceramide	[no description available]	medium	1	0	N-acylsphinganine
epinephrine bitartrate	[no description available]	medium	1	0
bicuculline methobromide	[no description available]	medium	1	0
butylscopolammonium bromide	[no description available]	medium	2	0
butaclamol hydrochloride	[no description available]	medium	1	0
a 38503	[no description available]	medium	1	0
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide	[no description available]	medium	1	0
sk&f 89976-a	[no description available]	medium	1	0
cv 1808	[no description available]	medium	1	0	purine nucleoside
fluvoxamine maleate	[no description available]	medium	1	0	(trifluoromethyl)benzenes
naloxone benzoylhydrazone	[no description available]	medium	1	0
2-methyl-6-(phenylethynyl)pyridine hydrochloride	[no description available]	medium	1	0	hydrochloride	anxiolytic drug; metabotropic glutamate receptor antagonist
amiprilose	[no description available]	medium	1	0
(R)-fluoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; serotonin uptake inhibitor
desmethylselegiline hydrochloride	[no description available]	medium	1	0
3-morpholino-sydnonimine monohydrochloride	[no description available]	medium	1	0
t 1032	[no description available]	medium	1	0
qx-314 bromide	[no description available]	medium	1	0
(S)-fluoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; serotonin uptake inhibitor
sr 59230a	[no description available]	medium	1	0
u 74389g	[no description available]	medium	1	0
1-(2-methoxyphenyl)piperazine hydrochloride	[no description available]	medium	1	0
y 27632, dihydrochloride, (4(r)-trans)-isomer	[no description available]	medium	1	0
noscapine hydrochloride	[no description available]	medium	1	0
a 77636	[no description available]	medium	1	0	hydrochloride	antiparkinson drug; dopamine agonist
cgp 20712a	[no description available]	medium	1	0
levodopa methyl ester hydrochloride	[no description available]	medium	1	0
benalfocin hydrochloride	[no description available]	medium	1	0
lu 19005	[no description available]	medium	1	0
benoxathian hydrochloride	[no description available]	medium	1	0
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer	[no description available]	medium	1	0
n-cyclopropyl adenosine-5'-carboxamide	[no description available]	medium	1	0
cefotaxime sodium	[no description available]	medium	1	0	organic sodium salt
calpain inhibitor iii	[no description available]	medium	1	0
GR 127935 hydrochloride	[no description available]	medium	1	0	hydrochloride	serotonergic antagonist
mrs 1845	[no description available]	medium	1	0
1-aminocyclopropane-1-carboxylic acid hydrochloride	[no description available]	medium	1	0
alaproclate hydrochloride	[no description available]	medium	1	0
ubenimex	[no description available]	medium	1	0	peptide
3-chloroalanine hydrochloride, (l-ala)-isomer	[no description available]	medium	1	0
dsp 4 hydrochloride	[no description available]	medium	1	0
calcimycin	[no description available]	medium	6	0	benzoxazole
(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloride	[no description available]	medium	1	0	hydrochloride	alpha-adrenergic antagonist
2-cyclooctyl-2-hydroxyethylamine hydrochloride	[no description available]	medium	1	0
cirazoline monohydrochloride	[no description available]	medium	1	0
adtn	[no description available]	medium	1	0
apocodeine hydrochloride, (r)-isomer	[no description available]	medium	1	0
Dihydro-beta-erythroidine hydrobromide	[no description available]	medium	1	0	indoles
lilly 78335	[no description available]	medium	1	0
efaroxan hydrochloride	[no description available]	medium	1	0
fenoldopam hydrobromide	[no description available]	medium	1	0
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride	[no description available]	medium	1	0	hydrochloride	dopamine uptake inhibitor
guvacine hydrochloride	[no description available]	medium	1	0
7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide	[no description available]	medium	1	0
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer,	[no description available]	medium	1	0	organic molecular entity
1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-one	[no description available]	medium	1	0	hydrochloride	receptor modulator; serotonergic antagonist
4-iodoclonidine	[no description available]	medium	1	0
4-methylpyrazole monohydrochloride	[no description available]	medium	1	0
tele-methylhistamine	[no description available]	medium	1	0
alpha-methyltyrosine methyl ester, monohydrochloride	[no description available]	medium	1	0
octoclothepine maleate	[no description available]	medium	1	0
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride	[no description available]	medium	1	0
du 24565	[no description available]	medium	1	0
2-methoxyidazoxan hydrochloride	[no description available]	medium	1	0
ro 25-6981	[no description available]	medium	1	0
sk&f 77434	[no description available]	medium	1	0	hydrobromide	dopamine agonist; prodrug
3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea	[no description available]	medium	1	0	organic heterotetracyclic compound; organonitrogen heterocyclic compound
demethylcantharidin	[no description available]	medium	1	0
atropine sulfate	[no description available]	medium	2	0
1-deoxynojirimycin hydrochloride	[no description available]	medium	1	0
win 62577	[no description available]	medium	1	0
quinine sulfate	[no description available]	medium	1	0	hydrate
quercetin	[no description available]	medium	1	0
rv 538, (r-(r,r))-isomer	[no description available]	medium	1	0
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (1s-cis)-isomer	[no description available]	medium	1	0
valproate sodium	[no description available]	medium	1	0	organic sodium salt	geroprotector
u 63557a	[no description available]	medium	1	0
taurocholic acid, monosodium salt	[no description available]	medium	1	0	bile salt
cefmetazole sodium	[no description available]	medium	1	0	organic sodium salt	antimicrobial agent
fusidate sodium	[no description available]	medium	1	0
cephapirin sodium	[no description available]	medium	1	0	cephalosporin; organic sodium salt	antibacterial drug
sodium cephalothin	[no description available]	medium	1	0	organic sodium salt
cefazolin sodium	[no description available]	medium	1	0	organic sodium salt
5-hydroxydecanoic acid, monosodium salt	[no description available]	medium	1	0
ro13-9904	[no description available]	medium	1	0
phenytoin sodium	[no description available]	medium	1	0
cr 1409	[no description available]	medium	1	0
cortisol succinate, sodium salt	[no description available]	medium	1	0	organic molecular entity
piroxicam	[no description available]	medium	1	0	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
lfm a13	[no description available]	medium	1	0	aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor
l 701324	[no description available]	medium	1	0	quinolines
hispidin	[no description available]	medium	1	0	2-pyranones; catechols	antioxidant; EC 2.7.11.13 (protein kinase C) inhibitor; fungal metabolite
minocycline hydrochloride	[no description available]	medium	1	0
demeclocycline hydrochloride	[no description available]	medium	1	0
acyclovir	[no description available]	medium	1	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
sepiapterin	[no description available]	medium	1	0	sepiapterin
isoxanthopterin	[no description available]	medium	1	0	dihydroxypteridine
clozapine	[no description available]	medium	1	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic
ganciclovir	[no description available]	medium	1	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
zaprinast	[no description available]	medium	1	0	triazolopyrimidines
allopurinol	[no description available]	medium	9	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
thiolactomycin	[no description available]	medium	1	0
2,4-diaminohypoxanthine	[no description available]	medium	1	0	hydroxypyrimidine
quazinone	[no description available]	medium	1	0
8-bromocyclic gmp, sodium salt	[no description available]	medium	1	0	organic sodium salt	muscle relaxant; protein kinase G agonist
ag-879	[no description available]	medium	1	0
adenine	[no description available]	high	11	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
allantoin	[no description available]	medium	4	0	imidazolidine-2,4-dione; ureas	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary
uracil	[no description available]	high	9	0	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite
uridine	[no description available]	medium	3	0	uridines	drug metabolite; fundamental metabolite; human metabolite
1-methyluric acid	[no description available]	medium	2	0	oxopurine	human xenobiotic metabolite; mouse metabolite
1,3,7-trimethylurate	[no description available]	medium	8	0	oxopurine	human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; mouse metabolite
3,7-dimethyluric acid	[no description available]	medium	3	0	oxopurine	metabolite; mouse metabolite
1,7-dimethyluric acid	[no description available]	medium	1	0	oxopurine	human xenobiotic metabolite; mouse metabolite
4-aminophenol	[no description available]	medium	1	0	aminophenol	allergen; metabolite
indoleacetic acid	[no description available]	medium	1	0	indole-3-acetic acids; monocarboxylic acid	auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite
epibatidine	[no description available]	medium	1	0	alkaloid
aristolochic acid i	[no description available]	medium	1	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
5-methoxypsoralen	[no description available]	medium	1	0	5-methoxyfurocoumarin; organic heterotricyclic compound; psoralens	hepatoprotective agent; plant metabolite
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone	[no description available]	medium	1	0	1,4-benzoquinones	cofactor
3,3'-diindolylmethane	[no description available]	medium	1	0	indoles	antineoplastic agent; P450 inhibitor
embelin	[no description available]	medium	1	0	dihydroxy-1,4-benzoquinones	antimicrobial agent; antineoplastic agent; hepatitis C protease inhibitor; plant metabolite
gossypol	[no description available]	medium	1	0
hypericin	[no description available]	medium	1	0
indole-3-carbinol	[no description available]	medium	1	0	indolyl alcohol	antineoplastic agent; plant metabolite
khellin	[no description available]	medium	1	0	furanochromone; organic heterotricyclic compound; oxacycle	anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent
kinetin	[no description available]	medium	1	0	6-aminopurines; furans	cytokinin; geroprotector
lavendustin a	[no description available]	medium	1	0	aromatic amine
lavendustin b	[no description available]	medium	1	0
vitamin k 3	[no description available]	medium	1	0	1,4-naphthoquinones; vitamin K	angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical
methoxsalen	[no description available]	medium	1	0	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
myristicin	[no description available]	medium	1	0	organic molecular entity	metabolite
nalidixic acid	[no description available]	medium	1	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one	[no description available]	medium	1	0	isoquinolines
patulin	[no description available]	medium	1	0	furopyran; gamma-lactone; lactol	antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite
sanguinarine	[no description available]	medium	1	0	alkaloid antibiotic; benzophenanthridine alkaloid; botanical anti-fungal agent
streptonigrin	[no description available]	medium	2	0	pyridines; quinolone	antimicrobial agent; antineoplastic agent
tetrahydropapaverine	[no description available]	medium	1	0	aromatic ether; benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; polyether; secondary amino compound
trioxsalen	[no description available]	medium	1	0	psoralens	dermatologic drug; photosensitizing agent
mitomycin	[no description available]	medium	2	0	mitomycin	alkylating agent; antineoplastic agent
kanamycin a	[no description available]	medium	1	0	kanamycins	bacterial metabolite
veratramine	[no description available]	medium	1	0	piperidine alkaloid
phlorhizin	[no description available]	medium	1	0	aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative	antioxidant; plant metabolite
gliotoxin	[no description available]	medium	1	0	dipeptide; organic disulfide; organic heterotetracyclic compound; pyrazinoindole	antifungal agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; immunosuppressive agent; mycotoxin; proteasome inhibitor
tubercidin	[no description available]	medium	2	0	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside	antimetabolite; antineoplastic agent; bacterial metabolite
veratridine	[no description available]	medium	1	0	steroid	sodium channel modulator
gibberellic acid	[no description available]	medium	1	0	C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound	mouse metabolite; plant metabolite
visnagin	[no description available]	medium	1	0	aromatic ether; furanochromone; polyketide	anti-inflammatory agent; antihypertensive agent; EC 1.1.1.37 (malate dehydrogenase) inhibitor; phytotoxin; plant metabolite; vasodilator agent
skimmianine	[no description available]	medium	1	0	alkaloid antibiotic; organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
syrosingopine	[no description available]	medium	1	0	yohimban alkaloid
gramine	[no description available]	medium	1	0	aminoalkylindole; indole alkaloid; tertiary amino compound	antibacterial agent; antiviral agent; plant metabolite; serotonergic antagonist
methylergonovine	[no description available]	medium	1	0	ergoline alkaloid
2,2'-methylenebis(4-methyl-6-tert-butylphenol)	[no description available]	medium	1	0	diarylmethane
indolebutyric acid	[no description available]	medium	1	0	indol-3-yl carboxylic acid	auxin; plant hormone; plant metabolite
shikimic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
monocrotaline	[no description available]	medium	1	0	pyrrolizidine alkaloid
jervine	[no description available]	medium	1	0	piperidines
glycyrrhetinic acid	[no description available]	medium	1	0	cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid	immunomodulator; plant metabolite
boldine	[no description available]	medium	1	0	aporphine alkaloid
indirubin	[no description available]	medium	1	0
plumbagin	[no description available]	medium	1	0	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite
cepharanthine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
aloe emodin	[no description available]	medium	1	0	aromatic primary alcohol; dihydroxyanthraquinone	antineoplastic agent; plant metabolite
osthol	[no description available]	medium	1	0	botanical anti-fungal agent; coumarins	metabolite
cytisine	[no description available]	medium	1	0	alkaloid; bridged compound; lactam; organic heterotricyclic compound; secondary amino compound	nicotinic acetylcholine receptor agonist; phytotoxin; plant metabolite
thymoquinone	[no description available]	medium	1	0	1,4-benzoquinones	adjuvant; anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; cardioprotective agent; plant metabolite
oleanolic acid	[no description available]	medium	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite
hesperidin	[no description available]	medium	1	0	3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside	mutagen
azomycin	[no description available]	medium	1	0	C-nitro compound; imidazoles	antitubercular agent
Berberine chloride (TN)	[no description available]	medium	1	0	organic molecular entity
vincamine	[no description available]	medium	1	0	alkaloid ester; hemiaminal; methyl ester; organic heteropentacyclic compound; vinca alkaloid	antihypertensive agent; metabolite; vasodilator agent
ecdysone	[no description available]	medium	1	0	14alpha-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; 6-oxo steroid; ecdysteroid	prohormone
n-deacetyl-n-formylcolchicine	[no description available]	medium	1	0	cyclic ketone
2-bromoergocryptine mesylate	[no description available]	medium	1	0	methanesulfonate salt	antiparkinson drug
zingerone	[no description available]	medium	1	0	methyl ketone; monomethoxybenzene; phenols	anti-inflammatory agent; antiemetic; antioxidant; flavouring agent; fragrance; plant metabolite; radiation protective agent
phorbol 12,13-dibutyrate	[no description available]	medium	1	0	butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone
swainsonine	[no description available]	medium	1	0	indolizidine alkaloid	antineoplastic agent; EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor; immunological adjuvant; plant metabolite
castanospermine	[no description available]	medium	1	0	indolizidine alkaloid	anti-HIV-1 agent; anti-inflammatory agent; EC 3.2.1.* (glycosidase) inhibitor; metabolite
daunorubicin hydrochloride	[no description available]	medium	1	0	anthracycline
ursolic acid	[no description available]	medium	2	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	geroprotector; plant metabolite
norharman	[no description available]	medium	1	0	beta-carbolines; mancude organic heterotricyclic parent	fungal metabolite; marine metabolite
betulinic acid	[no description available]	medium	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite
epigallocatechin gallate	[no description available]	medium	5	0	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
baccatin iii	[no description available]	medium	1	0	acetate ester; benzoate ester; tetracyclic diterpenoid	plant metabolite
taleranol	[no description available]	medium	1	0	macrolide
narasin	[no description available]	medium	1	0	diterpene glycoside
quassin	[no description available]	medium	1	0	triterpenoid
tomatidine	[no description available]	medium	1	0	3beta-hydroxy steroid; azaspiro compound; oxaspiro compound
aloxistatin	[no description available]	medium	1	0	epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide	anticoronaviral agent; cathepsin B inhibitor
bergenin	[no description available]	medium	1	0	trihydroxybenzoic acid	metabolite
pinocembrin	[no description available]	medium	1	0	(2S)-flavan-4-one; dihydroxyflavanone	antineoplastic agent; antioxidant; metabolite; neuroprotective agent; vasodilator agent
isoscopoletin	[no description available]	medium	1	0	aromatic ether; hydroxycoumarin	plant metabolite
vinburnine	[no description available]	medium	1	0	alkaloid
epicatechin	[no description available]	medium	1	0	catechin; polyphenol	antioxidant
hesperetin	[no description available]	medium	1	0	3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone	antineoplastic agent; antioxidant; plant metabolite
magnolol	[no description available]	medium	1	0	biphenyls
honokiol	[no description available]	medium	1	0	biphenyls
betulin	[no description available]	medium	1	0	diol; pentacyclic triterpenoid	analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite
tetrahydroalstonine	[no description available]	medium	1	0	methyl ester; organic heteropentacyclic compound; yohimban alkaloid	plant metabolite
hernandezine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
picropodophyllin	[no description available]	medium	1	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antineoplastic agent; insulin-like growth factor receptor 1 antagonist; plant metabolite; tyrosine kinase inhibitor
tetrandrine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
dehydrocostus lactone	[no description available]	medium	1	0	gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; sesquiterpene lactone	antimycobacterial drug; antineoplastic agent; apoptosis inducer; cyclooxygenase 2 inhibitor; metabolite; trypanocidal drug
madecassic acid	[no description available]	medium	1	0	monocarboxylic acid; pentacyclic triterpenoid; tetrol	antioxidant; plant metabolite
panaxadiol	[no description available]	medium	1	0	triterpenoid saponin
tryptanthrine	[no description available]	medium	1	0	alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound
homoeriodictyol	[no description available]	medium	1	0	3'-methoxyflavanones; 4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone	flavouring agent; metabolite
4-hydroxyindole	[no description available]	medium	1	0	hydroxyindoles; phenols
eriocitrin	[no description available]	medium	1	0	3'-hydroxyflavanones; 4'-hydroxyflavanones; disaccharide derivative; flavanone glycoside; rutinoside; trihydroxyflavanone	antioxidant
7,8-dihydromethysticin	[no description available]	medium	1	0	2-pyranones; aromatic ether
nicotine	[no description available]	high	5	0	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
cinchonine	[no description available]	medium	1	0	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
aucubin	[no description available]	medium	1	0	organic molecular entity	metabolite
lupinine	[no description available]	medium	1	0	quinolizidine alkaloid
matrine	[no description available]	medium	1	0	alkaloid
friedelin	[no description available]	medium	1	0	cyclic terpene ketone; pentacyclic triterpenoid	anti-inflammatory drug; antipyretic; non-narcotic analgesic; plant metabolite
catalpol	[no description available]	medium	1	0	organic molecular entity	metabolite
quinine hydrochloride	[no description available]	medium	1	0
sarsasapogenin	[no description available]	medium	1	0	sapogenin
corynanthine	[no description available]	medium	1	0	yohimban alkaloid
prunin protein, prunus	[no description available]	medium	1	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; flavanone 7-O-beta-D-glucoside; monosaccharide derivative	antibacterial agent; antilipemic drug; hypoglycemic agent; metabolite
podocarpic acid	[no description available]	medium	1	0	abietane diterpenoid
harmol hydrochloride	[no description available]	medium	1	0
5-Methoxyflavone	[no description available]	medium	1	0	ether; flavonoids
10-hydroxycamptothecin	[no description available]	medium	1	0	pyranoindolizinoquinoline
corydaline	[no description available]	medium	1	0	isoquinoline alkaloid; isoquinolines
demissidine	[no description available]	medium	1	0	alkaloid; organic heteropolycyclic compound; steroid
cinchonidine	[no description available]	medium	1	0	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
propidium iodide	[no description available]	medium	1	0	organic iodide salt
tryptoline	[no description available]	medium	1	0	beta-carbolines
deguelin	[no description available]	medium	1	0	aromatic ether; diether; organic heteropentacyclic compound; rotenones	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite
daidzin	[no description available]	medium	1	0	7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative	plant metabolite
cafestol	[no description available]	medium	1	0	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; plant metabolite
homoorientin	[no description available]	medium	1	0	flavone C-glycoside; tetrahydroxyflavone	antineoplastic agent; radical scavenger
asiatic acid	[no description available]	medium	1	0	monocarboxylic acid; pentacyclic triterpenoid; triol	angiogenesis modulating agent; metabolite
angustmycin a	[no description available]	medium	1	0	6-aminopurines
razadyne	[no description available]	medium	1	0
phytosphingosine	[no description available]	medium	1	0	amino alcohol; sphingoid; triol	mouse metabolite; Saccharomyces cerevisiae metabolite
tetradecanoylphorbol acetate	[no description available]	medium	1	0
celastrol	[no description available]	medium	1	0	monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite
4'-demethylepipodophyllotoxin	[no description available]	medium	1	0	furonaphthodioxole; organic heterotetracyclic compound; phenols	antineoplastic agent
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine	[no description available]	medium	1	0	leucine derivative
sinensetin	[no description available]	medium	1	0	pentamethoxyflavone	plant metabolite
harmalol hydrochloride	[no description available]	medium	1	0
hyoscyamine	[no description available]	medium	1	0	tropane alkaloid
schizandrin a	[no description available]	medium	1	0
schizandrin b	[no description available]	medium	1	0	aromatic ether; cyclic acetal; organic heterotetracyclic compound; oxacycle; tannin	anti-asthmatic agent; anti-inflammatory agent; antilipemic drug; antioxidant; apoptosis inhibitor; hepatoprotective agent; nephroprotective agent; neuroprotective agent; plant metabolite
cryptotanshinone	[no description available]	medium	1	0	abietane diterpenoid	anticoronaviral agent
isosakuranetin	[no description available]	medium	1	0	(2S)-flavan-4-one; 4'-methoxyflavanones; dihydroxyflavanone; monomethoxyflavanone	plant metabolite
isovitexin	[no description available]	medium	1	0	C-glycosyl compound; trihydroxyflavone	EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite
sclareol	[no description available]	medium	1	0	labdane diterpenoid	antifungal agent; antimicrobial agent; apoptosis inducer; fragrance; plant metabolite
tanshinone ii a	[no description available]	medium	1	0	abietane diterpenoid
leucodin	[no description available]	medium	1	0	sesquiterpene lactone
limonin	[no description available]	medium	1	0	epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound	inhibitor; metabolite; volatile oil component
maduramicin	[no description available]	medium	1	0
chelidonine	[no description available]	medium	1	0	alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid
troleandomycin	[no description available]	medium	1	0	acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative	EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic
santonin	[no description available]	medium	1	0	botanical anti-fungal agent; santonin	plant metabolite
sitosterol, (3beta)-isomer	[no description available]	medium	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol	anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor
anisomycin	[no description available]	medium	1	0	monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic	anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor
acetylstrophanthidin	[no description available]	medium	1	0	acetate ester	anti-arrhythmia drug
Harringtonine	[no description available]	medium	1	0	alkaloid
acivicin	[no description available]	medium	1	0	isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound	antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite
ketopinic acid	[no description available]	medium	1	0
gitoxigenin	[no description available]	medium	1	0	14beta-hydroxy steroid; 16beta-hydroxy steroid; 3beta-hydroxy steroid
graveoline	[no description available]	medium	1	0	quinolines
4-oxy-6-(4-oxybezoyloxy)dauc-8,9-en	[no description available]	medium	1	0
naringenin	[no description available]	medium	1	0	(2S)-flavan-4-one; naringenin	expectorant; plant metabolite
puromycin	[no description available]	medium	4	0	puromycins	antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor
taxifolin	[no description available]	medium	1	0	taxifolin	metabolite
mimosine	[no description available]	medium	1	0	4-pyridones; amino acid zwitterion; non-proteinogenic L-alpha-amino acid	EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite
eriodictyol	[no description available]	medium	1	0	3'-hydroxyflavanones; tetrahydroxyflavanone
arbutin	[no description available]	high	2	0	beta-D-glucoside; monosaccharide derivative	Escherichia coli metabolite; plant metabolite
quinidine	[no description available]	medium	2	0	cinchona alkaloid	alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker
conessine	[no description available]	medium	1	0	steroid alkaloid; tertiary amino compound	antibacterial agent; antimalarial; H3-receptor antagonist; plant metabolite
griseofulvin	[no description available]	medium	1	0	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
digitoxin	[no description available]	medium	3	0	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
hyperforin	[no description available]	medium	1	0
deltaline	[no description available]	medium	1	0	acetate ester; cyclic acetal; diterpene alkaloid; organic polycyclic compound; tertiary alcohol; tertiary amino compound
ingenol	[no description available]	medium	1	0	cyclic terpene ketone; tetracyclic diterpenoid
picrotin	[no description available]	medium	1	0	diol; epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol	plant metabolite
picrotoxinin	[no description available]	medium	1	0	epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol	GABA antagonist; plant metabolite; serotonergic antagonist
naringin	[no description available]	medium	2	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside	anti-inflammatory agent; antineoplastic agent; metabolite
isonaringin	[no description available]	medium	1	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; rutinoside	anti-inflammatory agent; antioxidant; metabolite
ochratoxin a	[no description available]	medium	2	0	isochromanes; monocarboxylic acid amide; N-acyl-L-phenylalanine; organochlorine compound; phenylalanine derivative	Aspergillus metabolite; calcium channel blocker; carcinogenic agent; mycotoxin; nephrotoxin; Penicillium metabolite; teratogenic agent
gingerol	[no description available]	medium	1	0	beta-hydroxy ketone; guaiacols	antineoplastic agent; plant metabolite
securinine	[no description available]	medium	1	0	indolizines
doxorubicin hydrochloride	[no description available]	medium	1	0	anthracycline
ferulic acid	[no description available]	medium	1	0	ferulic acids	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite
mycophenolic acid	[no description available]	medium	1	0	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic
alitretinoin	[no description available]	medium	1	0	retinoic acid	antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist
12-deoxyphorbol 13-acetate	[no description available]	medium	1	0	phorbol ester	metabolite
dactinomycin	[no description available]	medium	2	0	actinomycin	mutagen
aphidicolin	[no description available]	medium	1	0	tetracyclic diterpenoid	antimicrobial agent; antimitotic; antineoplastic agent; antiviral drug; apoptosis inducer; Aspergillus metabolite; DNA synthesis inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; fungal metabolite
(+)-usnic acid	[no description available]	medium	1	0	usnic acid
beta, beta-dimethylacrylshikonin, (+)-isomer	[no description available]	medium	1	0	hydroxy-1,4-naphthoquinone
shikonin	[no description available]	medium	1	0	hydroxy-1,4-naphthoquinone
rhapontin	[no description available]	medium	1	0	rhaponticin	angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antilipemic drug; antineoplastic agent; apoptosis inducer; EC 2.3.1.85 (fatty acid synthase) inhibitor; hypoglycemic agent; neuroprotective agent; plant metabolite
piperine	[no description available]	medium	1	0	benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide	food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite
amygdalin	[no description available]	medium	1	0	amygdalin	antineoplastic agent; apoptosis inducer; plant metabolite
hydrastine, (r-(r,s))-isomer	[no description available]	medium	1	0	isoquinolines
vasicine	[no description available]	medium	1	0
heliotrine	[no description available]	medium	1	0	pyrrolizines
sclareolide	[no description available]	medium	1	0	naphthofuran
hypocrellin b	[no description available]	medium	1	0
capsaicin	[no description available]	medium	4	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
capsaicin	[no description available]	medium	4	1	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
aurapten	[no description available]	medium	1	0	coumarins; monoterpenoid	antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; dopaminergic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; gamma-secretase modulator; gastrointestinal drug; hepatoprotective agent; matrix metalloproteinase inhibitor; neuroprotective agent; plant metabolite; PPARalpha agonist; vulnerary
chlorogenic acid	[no description available]	high	6	0	cinnamate ester; tannin	food component; plant metabolite
fumonisin b2	[no description available]	medium	1	0	diester; diol; fumonisin; primary amino compound	Aspergillus metabolite; carcinogenic agent
lincomycin	[no description available]	medium	1	0	carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound	antimicrobial agent; bacterial metabolite
valinomycin	[no description available]	medium	1	0	cyclodepsipeptide; macrocycle	antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore
orlistat	[no description available]	medium	1	0	beta-lactone; carboxylic ester; formamides; L-leucine derivative	anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor
12-deoxyphorbolphenylacetate-20-acetate	[no description available]	medium	1	0
brassinin	[no description available]	medium	1	0	dithiocarbamic ester; indole phytoalexin
chaetomellic acid a	[no description available]	medium	1	0
hirsutine	[no description available]	medium	1	0
3-deoxyvasicine, hydrochloride	[no description available]	medium	1	0
emetine dihydrochloride	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; protein synthesis inhibitor
salinomycin	[no description available]	medium	1	0	polyketide; spiroketal	animal growth promotant; potassium ionophore
silybin	[no description available]	medium	1	0
5,6-dehydrokawain	[no description available]	medium	1	0	2-pyranones; aromatic ether
9,10-dihydrolysergol	[no description available]	medium	1	0
geranylgeranic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; diterpenoid; methyl-branched fatty acid; trienoic fatty acid
quercetin	[no description available]	high	2	0	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger
dinoprostone	[no description available]	high	4	1	prostaglandins E	human metabolite; mouse metabolite; oxytocic
dinoprostone	[no description available]	high	4	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
dinoprost	[no description available]	high	2	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
biochanin a	[no description available]	medium	1	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
formononetin	[no description available]	medium	1	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	phytoestrogen; plant metabolite
prostaglandin b1	[no description available]	medium	1	0	prostaglandins B	human metabolite
sterigmatocystin	[no description available]	medium	1	0	sterigmatocystins	metabolite
vitexin	[no description available]	medium	1	0	C-glycosyl compound; trihydroxyflavone	antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite; platelet aggregation inhibitor
acacetin	[no description available]	medium	1	0	dihydroxyflavone; monomethoxyflavone	anticonvulsant; plant metabolite
quercitrin	[no description available]	medium	1	0	alpha-L-rhamnoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	antileishmanial agent; antioxidant; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite
scopoletin	[no description available]	medium	1	0	hydroxycoumarin	plant growth regulator; plant metabolite
hymecromone	[no description available]	medium	1	0	hydroxycoumarin	antineoplastic agent; hyaluronic acid synthesis inhibitor
alprostadil	[no description available]	high	7	2	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
alprostadil	[no description available]	high	7	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
quercetin 3-o-glucopyranoside	[no description available]	medium	1	0	beta-D-glucoside; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antineoplastic agent; antioxidant; antipruritic drug; bone density conservation agent; geroprotector; histamine antagonist; osteogenesis regulator; plant metabolite
rutin	[no description available]	medium	2	0	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite
kaempferol	[no description available]	medium	1	0	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite
senecionine	[no description available]	medium	1	0	lactone; pyrrolizidine alkaloid; tertiary alcohol	plant metabolite
amphotericin b	[no description available]	medium	3	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
butein	[no description available]	medium	1	0	chalcones; polyphenol	antineoplastic agent; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; geroprotector; hypoglycemic agent; plant metabolite; radiosensitizing agent; tyrosine kinase inhibitor
sulfuretin	[no description available]	medium	1	0	1-benzofurans
genistin	[no description available]	medium	1	0	7-hydroxyisoflavones 7-O-beta-D-glucoside
chartreusin	[no description available]	medium	1	0	benzochromenone; glycoside
methysticin	[no description available]	medium	1	0	2-pyranones; aromatic ether
yangonin	[no description available]	medium	1	0	2-pyranones; aromatic ether
zearalenone	[no description available]	medium	1	0	macrolide; resorcinols	fungal metabolite; mycoestrogen
baicalein	[no description available]	medium	1	0	trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger
chrysin	[no description available]	medium	1	0	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite
datiscetin	[no description available]	medium	1	0	7-hydroxyflavonol; tetrahydroxyflavone
diosmetin	[no description available]	medium	1	0	3'-hydroxyflavonoid; monomethoxyflavone; trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; bone density conservation agent; cardioprotective agent; plant metabolite; tropomyosin-related kinase B receptor agonist; vasodilator agent
diosmin	[no description available]	medium	1	0	dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside	anti-inflammatory agent; antioxidant
fisetin	[no description available]	medium	1	0	3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone	anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite
galangin	[no description available]	medium	1	0	7-hydroxyflavonol; trihydroxyflavone	antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite
3-methylquercetin	[no description available]	medium	1	0	7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone	anticoagulant; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite
rhamnetin	[no description available]	medium	1	0	monomethoxyflavone; tetrahydroxyflavone	anti-inflammatory agent; antioxidant; metabolite
robinetin	[no description available]	medium	1	0	7-hydroxyflavonol; pentahydroxyflavone	plant metabolite
tamarixetin	[no description available]	medium	1	0	7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone	antioxidant; metabolite
wogonin	[no description available]	medium	1	0	dihydroxyflavone; monomethoxyflavone	angiogenesis inhibitor; antineoplastic agent; cyclooxygenase 2 inhibitor; plant metabolite
coumestrol	[no description available]	medium	1	0	coumestans; delta-lactone; polyphenol	anti-inflammatory agent; antioxidant; plant metabolite
rosmarinic acid	[no description available]	medium	1	0	rosmarinic acid	geroprotector; plant metabolite
wedelolactone	[no description available]	medium	1	0	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; apoptosis inducer; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; hepatoprotective agent; metabolite
ellagic acid	[no description available]	high	3	0	catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent
7-hydroxyflavone	[no description available]	medium	1	0	hydroxyflavonoid
prostaglandin a1	[no description available]	medium	1	0	prostaglandins A
cerulenin	[no description available]	medium	1	0	epoxide; monocarboxylic acid amide	antifungal agent; antiinfective agent; antilipemic drug; antimetabolite; antimicrobial agent; fatty acid synthesis inhibitor
rhoifolin	[no description available]	medium	1	0	dihydroxyflavone; glycosyloxyflavone; neohesperidoside	metabolite
vitexin rhamnoside	[no description available]	medium	1	0	C-glycosyl compound; disaccharide derivative; trihydroxyflavone	plant metabolite
domoic acid	[no description available]	medium	1	0	L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid; tricarboxylic acid	algal metabolite; hapten; marine metabolite; neuromuscular agent; neurotoxin
natamycin	[no description available]	medium	1	0	antibiotic antifungal drug; dicarboxylic acid monoester; epoxide; macrolide antibiotic; monosaccharide derivative; polyene antibiotic	antifungal agrochemical; antimicrobial food preservative; apoptosis inducer; bacterial metabolite; ophthalmology drug
sirolimus	[no description available]	medium	1	0	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor
cytochalasin b	[no description available]	medium	2	0	cytochalasin; lactam; lactone; organic heterotricyclic compound	actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor
vinorelbine	[no description available]	medium	1	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid	antineoplastic agent; photosensitizing agent
bisdemethoxycurcumin	[no description available]	medium	1	0	beta-diketone; diarylheptanoid; enone; polyphenol	EC 3.2.1.1 (alpha-amylase) inhibitor; metabolite
andrographolide	[no description available]	medium	1	0	carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol	anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite
isorhamnetin 3-o-glucoside	[no description available]	medium	1	0	beta-D-glucoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone	metabolite
6,7-dihydroxyflavone	[no description available]	medium	1	0
flavokawain a	[no description available]	medium	1	0	chalcones
flavokawain b	[no description available]	medium	1	0	chalcones; dimethoxybenzene; phenols	anti-inflammatory agent; antileishmanial agent; antineoplastic agent; apoptosis inducer; metabolite
kavain	[no description available]	medium	1	0	racemate	glycine receptor antagonist
abscisic acid, (+,-)-isomer	[no description available]	medium	1	0	abscisic acids	abscisic acid receptor agonist
veratrine	[no description available]	medium	2	0	alkaloid
catharanthine	[no description available]	medium	1	0	alkaloid ester; bridged compound; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound
cytochalasin e	[no description available]	medium	1	0	cytochalasan alkaloid	metabolite
cytochalasin d	[no description available]	medium	1	0
sinomenine	[no description available]	medium	1	0	morphinane alkaloid
ecdysterone	[no description available]	medium	1	0	14alpha-hydroxy steroid; 20-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; ecdysteroid; phytoecdysteroid	animal metabolite; plant metabolite
bleomycin	[no description available]	medium	1	0	bleomycin	antineoplastic agent; metabolite
bakuchiol	[no description available]	medium	1	0
zerumbone	[no description available]	medium	1	0	cyclic ketone; sesquiterpenoid	anti-inflammatory agent; glioma-associated oncogene inhibitor; plant metabolite
solanesol	[no description available]	medium	1	0	nonaprenol; primary alcohol	plant metabolite
(1S,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester	[no description available]	medium	1	0	yohimban alkaloid
n-caproylsphingosine	[no description available]	medium	1	0	N-acylsphingosine
monorden	[no description available]	medium	1	0	cyclic ketone; enone; epoxide; macrolide antibiotic; monochlorobenzenes; phenols	antifungal agent; metabolite; tyrosine kinase inhibitor
ginkgolide b	[no description available]	medium	1	0
hydrocotarnine hydrobromide	[no description available]	medium	1	0
salsolinol hydrobromide	[no description available]	medium	1	0
lasalocid sodium	[no description available]	medium	1	0	benzoates; organic sodium salt	coccidiostat; ionophore
sclerotiorin	[no description available]	medium	1	0	azaphilone
himbacine	[no description available]	medium	1	0	gamma-lactone; organic heterotricyclic compound; piperidine alkaloid	muscarinic antagonist
ebelactone b	[no description available]	medium	1	0
3-o-methylbutein	[no description available]	medium	1	0	chalcones
thermozymocidin	[no description available]	medium	1	0	alpha-amino fatty acid; hydroxy monocarboxylic acid; non-proteinogenic alpha-amino acid; sphingoid	antifungal agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor; fungal metabolite; immunosuppressive agent
marein	[no description available]	medium	1	0	flavonoids; glycoside
hydroxyachillin	[no description available]	medium	1	0	gamma-lactone
fumagillin	[no description available]	medium	1	0	antibiotic antifungal drug; carboxylic ester; dicarboxylic acid monoester; meroterpenoid; organooxygen heterocyclic antibiotic; spiro-epoxide	angiogenesis inhibitor; antibacterial drug; antimicrobial agent; antiprotozoal drug; fungal metabolite; methionine aminopeptidase 2 inhibitor
artesunate	[no description available]	medium	1	0	artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid	antimalarial; antineoplastic agent; ferroptosis inducer
anisodamine	[no description available]	medium	1	0
bufalin	[no description available]	medium	1	0	14beta-hydroxy steroid; 3beta-hydroxy steroid	animal metabolite; anti-inflammatory agent; antineoplastic agent; cardiotonic drug
alpha-solanine	[no description available]	medium	1	0	glycoalkaloid; organic heterohexacyclic compound; steroid saponin; trisaccharide derivative	antineoplastic agent; apoptosis inducer; phytotoxin; plant metabolite
apigenin-7-o-rutinoside	[no description available]	medium	1	0
gambogic acid	[no description available]	medium	1	0	pyranoxanthones	metabolite
bn 52020	[no description available]	medium	1	0
carmine	[no description available]	medium	1	0	C-glycosyl compound; monocarboxylic acid; tetrahydroxyanthraquinone	animal metabolite; histological dye
bavachinin	[no description available]	medium	1	0	flavanones
grayanotoxin iii	[no description available]	medium	1	0
Dihydrotanshinone I	[no description available]	medium	1	0	abietane diterpenoid	anticoronaviral agent
cinobufagin	[no description available]	medium	1	0	steroid lactone
cannogenin thevetoside	[no description available]	medium	1	0	cardenolide glycoside
eriodictyol 7-O-beta-D-glucopyranoside	[no description available]	medium	1	0	beta-D-glucoside; flavanone glycoside; monosaccharide derivative; trihydroxyflavanone	plant metabolite; radical scavenger
hypocrellin a	[no description available]	medium	1	0
dihydrorobinetin	[no description available]	medium	1	0
monensin	[no description available]	medium	1	0
minocycline	[no description available]	medium	1	0
dicumarol	[no description available]	medium	2	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist
citrinin	[no description available]	medium	1	0
vulpinic acid	[no description available]	medium	1	0	butenolide
ajmaline	[no description available]	medium	1	0
rifampin	[no description available]	medium	1	0	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor
alpha-cyclopiazonic acid	[no description available]	medium	1	0	alpha-cyclopiazonic acids
acetaminophen	[no description available]	high	9	0	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
barbital	[no description available]	medium	1	0	barbiturates	drug allergen
benzocaine	[no description available]	medium	2	0	benzoate ester; substituted aniline	allergen; antipruritic drug; sensitiser; topical anaesthetic
lidocaine	[no description available]	medium	2	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
papaverine	[no description available]	high	20	0	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
phenobarbital	[no description available]	medium	24	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenobarbital	[no description available]	medium	24	3	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
trazodone	[no description available]	medium	1	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
prednisolone	[no description available]	medium	6	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic
gamma-resorcylic acid	[no description available]	medium	1	0	dihydroxybenzoic acid	metabolite
oligonucleotides	[no description available]	medium	1	0
clenbuterol	[no description available]	medium	1	0	amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
eosine yellowish-(ys)	[no description available]	medium	1	0	organic sodium salt; organobromine compound	fluorochrome; histological dye
erlotinib hydrochloride	[no description available]	medium	1	0	hydrochloride; terminal acetylenic compound	antineoplastic agent; protein kinase inhibitor
clay	[no description available]	medium	1	0
catechin	[no description available]	medium	44	4	catechin	antioxidant; plant metabolite
gallic acid	[no description available]	medium	4	0	trihydroxybenzoic acid	antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite
flavan-3-ol	[no description available]	medium	2	1	hydroxyflavonoid
guanine	[no description available]	medium	8	0	2-aminopurines; oxopurine; purine nucleobase	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
thymine	[no description available]	medium	3	0	pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite
cytosine	[no description available]	medium	3	0	aminopyrimidine; pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
methanol	[no description available]	medium	5	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
procyanidin	[no description available]	medium	13	1	proanthocyanidin
caseins	[no description available]	medium	2	0
fluorides	[no description available]	medium	7	0	halide anion; monoatomic fluorine
melamine	[no description available]	medium	1	0	triamino-1,3,5-triazine	xenobiotic metabolite
urobilin	[no description available]	medium	1	0
xylometazoline	[no description available]	medium	1	0	alkylbenzene
citric acid, anhydrous	[no description available]	medium	3	2	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
flavanone	[no description available]	medium	3	0	flavanones
trilaurin	[no description available]	medium	1	0	dodecanoate ester; triglyceride
terephthalic acid	[no description available]	medium	2	0	benzenedicarboxylic acid
methane	[no description available]	medium	5	0	alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound	bacterial metabolite; fossil fuel; greenhouse gas
theanine	[no description available]	medium	2	0	amino acid zwitterion; N(5)-alkyl-L-glutamine	geroprotector; neuroprotective agent; plant metabolite
dimethylhydrazines	[no description available]	medium	1	0
strontium	[no description available]	medium	2	0	alkaline earth metal atom
lactic acid	[no description available]	medium	2	1	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
butyric acid	[no description available]	medium	1	0	fatty acid 4:0; straight-chain saturated fatty acid	human urinary metabolite; Mycoplasma genitalium metabolite
aluminum	[no description available]	medium	3	0	boron group element atom; elemental aluminium; metal atom
inositol	[no description available]	medium	2	0	cyclitol; hexol
oxalates	[no description available]	medium	5	1
proanthocyanidin	[no description available]	medium	1	0
potassium chloride	[no description available]	medium	2	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
ziprasidone	[no description available]	medium	1	0	1,2-benzisothiazole; indolones; organochlorine compound; piperazines	antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist
thiazoles	[no description available]	medium	3	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
phenol	[no description available]	medium	1	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
epicatechin gallate	[no description available]	medium	1	0	catechin; gallate ester; polyphenol	EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite
malondialdehyde	[no description available]	medium	2	0	dialdehyde	biomarker
glucose, (beta-d)-isomer	[no description available]	medium	1	0	D-glucopyranose	epitope; mouse metabolite
acteoside	[no description available]	medium	1	0	catechols; cinnamate ester; disaccharide derivative; glycoside; polyphenol	anti-inflammatory agent; antibacterial agent; antileishmanial agent; neuroprotective agent; plant metabolite
3-hydroxyflavone	[no description available]	medium	5	3	flavonols; monohydroxyflavone
simvastatin	[no description available]	medium	1	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic)	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug
incarvillateine	[no description available]	medium	2	0
1-anilino-8-naphthalenesulfonate	[no description available]	medium	1	0	aminonaphthalene; naphthalenesulfonic acid	fluorescent probe
pectins	[no description available]	medium	2	0	D-galactopyranuronic acid
sodium fluoride	[no description available]	medium	1	1	fluoride salt	mutagen
sm 346	[no description available]	medium	1	0
catechin gallate	[no description available]	medium	1	0	flavans; gallate ester; polyphenol	metabolite
tripalmitin	[no description available]	medium	1	0	triglyceride
enkephalin, ala(2)-mephe(4)-gly(5)-	[no description available]	medium	2	0
quinazolines	[no description available]	medium	6	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
triazoles	[no description available]	medium	13	0	1,2,3-triazole
gallocatechol	[no description available]	medium	2	0	gallocatechin	antioxidant; metabolite; radical scavenger
nad	[no description available]	medium	7	0	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
carbon tetrachloride	[no description available]	medium	1	0	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
carbene	[no description available]	medium	2	0	carbene; methanediyl
silver	[no description available]	medium	4	0	copper group element atom; elemental silver	Escherichia coli metabolite
verapamil	[no description available]	medium	6	0	aromatic ether; nitrile; polyether; tertiary amino compound
hydrogen	[no description available]	medium	4	0	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
betadex	[no description available]	medium	2	0	cyclodextrin
doxofylline	[no description available]	medium	3	0	oxopurine	anti-asthmatic drug; antitussive; bronchodilator agent
gold	[no description available]	medium	1	0	copper group element atom; elemental gold
muramidase	[no description available]	medium	2	0
procyanidin b2	[no description available]	medium	1	0	biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin	antioxidant; metabolite
tert-butylhydroperoxide	[no description available]	medium	1	0	alkyl hydroperoxide	antibacterial agent; oxidising agent
sulfur dioxide	[no description available]	medium	1	0	sulfur oxide	Escherichia coli metabolite; food bleaching agent; refrigerant
suramin	[no description available]	medium	5	0	naphthalenesulfonic acid; phenylureas; secondary carboxamide	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
clobutinol	[no description available]	medium	1	0	benzenes; organic amino compound
dextromethorphan	[no description available]	medium	1	0	6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene	antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic
codeine	[no description available]	medium	4	1	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
cyclopentane	[no description available]	medium	1	0	cycloalkane; cyclopentanes; volatile organic compound	non-polar solvent
2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine	[no description available]	medium	37	1	adenosines; dicarboxylic acid monoamide; monocarboxylic acid	adenosine A2A receptor agonist; anti-inflammatory agent
naloxone	[no description available]	medium	6	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
morphine	[no description available]	medium	7	1	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic
alpha,beta-methyleneadenosine 5'-triphosphate	[no description available]	medium	5	0	nucleoside triphosphate analogue
glutamic acid	[no description available]	medium	4	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
acetic acid	[no description available]	medium	2	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
urea	[no description available]	medium	7	0	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
alloxan	[no description available]	medium	1	0	pyrimidone	hyperglycemic agent; metabolite
tannins	[no description available]	medium	6	0
xanthosine	[no description available]	medium	2	0	purines D-ribonucleoside; xanthosines	Escherichia coli metabolite; human metabolite; mouse metabolite
quinic acid	[no description available]	medium	1	0
acridine orange	[no description available]	medium	2	0	aminoacridines; aromatic amine; tertiary amino compound	fluorochrome; histological dye
chlorophyll a	[no description available]	medium	1	0	chlorophyll; methyl ester	cofactor
formaldehyde	[no description available]	medium	4	0	aldehyde; one-carbon compound	allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
niacinamide	[no description available]	medium	6	0	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
resorcinol	[no description available]	medium	1	0	benzenediol; phenolic donor; resorcinols	erythropoietin inhibitor; sensitiser
n(6)-cyclohexyladenosine	[no description available]	medium	11	0
methylcellulose	[no description available]	medium	3	0
ovalbumin	[no description available]	medium	2	0
isonicotinamide	[no description available]	medium	1	0	pyridinecarboxamide
2,4-diaminopyrimidine	[no description available]	medium	1	0	aminopyrimidine
cyclic gmp	[no description available]	medium	6	0	3',5'-cyclic purine nucleotide; guanyl ribonucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
arginine methyl ester	[no description available]	medium	1	0	alpha-amino acid ester
6-cyano-7-nitroquinoxaline-2,3-dione	[no description available]	medium	2	0	quinoxaline derivative
valine	[no description available]	medium	1	0	L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
esmolol	[no description available]	medium	1	0	aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound
aspartame	[no description available]	medium	1	0	carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester	apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic
salicylic acid	[no description available]	medium	4	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
benzoic acid	[no description available]	medium	2	0	benzoic acids	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
ginsenosides	[no description available]	medium	1	0
tricalcium phosphate	[no description available]	medium	1	1	calcium phosphate
erythrosine	[no description available]	medium	2	0
procyanidin b5	[no description available]	medium	1	0	biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin	metabolite
adenosine diphosphate	[no description available]	medium	12	2	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
5'-adenylyl (beta,gamma-methylene)diphosphonate	[no description available]	medium	2	0	nucleoside triphosphate analogue
phosphorus radioisotopes	[no description available]	medium	1	0
apyrase	[no description available]	medium	1	0
zm 241385	[no description available]	medium	5	0	diamino-1,3,5-triazine
2-toluidine	[no description available]	medium	1	0	aminotoluene	carcinogenic agent
protocatechuic acid	[no description available]	medium	1	0	catechols; dihydroxybenzoic acid	antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite
dihydro-beta-erythroidine	[no description available]	medium	1	0	delta-lactone; organic heterotetracyclic compound; tertiary amino compound	nicotinic antagonist
tubocurarine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid	drug allergen; muscle relaxant; nicotinic antagonist
ethidium	[no description available]	medium	1	0	phenanthridines	fluorochrome; intercalator
thioperamide	[no description available]	medium	1	0	primary aliphatic amine
ranitidine	[no description available]	medium	1	0	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic
piperidines	[no description available]	medium	4	0
substance p	[no description available]	medium	3	0	peptide	neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent
decursin	[no description available]	medium	1	0	coumarins
yohimbine	[no description available]	medium	3	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
cyproheptadine	[no description available]	medium	1	0	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist
methysergide	[no description available]	medium	1	0	ergoline alkaloid
1,3-dipropyl-8-(2-amino-4-chlorophenyl)xanthine	[no description available]	medium	7	0
hydroxyl radical	[no description available]	medium	1	0	oxygen hydride; oxygen radical; reactive oxygen species
phenacetin	[no description available]	medium	4	0	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
4-aminobenzoic acid	[no description available]	medium	1	0	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
hyaluronoglucosaminidase	[no description available]	medium	1	0
barbituric acid	[no description available]	medium	1	0	barbiturates	allergen; xenobiotic
cosaldon	[no description available]	medium	15	1
cardiovascular agents	[no description available]	medium	4	0
digoxin	[no description available]	medium	6	1	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
calcium gluconate	[no description available]	medium	1	0	calcium salt	nutraceutical
histamine	[no description available]	medium	7	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
sulfobromophthalein	[no description available]	medium	1	0	2-benzofurans; organobromine compound; organosulfonic acid; phenols	dye
pentifylline	[no description available]	medium	18	2	oxopurine
niacin	[no description available]	medium	15	3	pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3	antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent
retinol	[no description available]	medium	8	3	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
ammonium chloride	[no description available]	medium	2	0	ammonium salt; inorganic chloride	ferroptosis inhibitor
chlorine	[no description available]	medium	6	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
nitrates	[no description available]	medium	2	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
copper gluconate	[no description available]	medium	2	1	organic molecular entity
benactyzine	[no description available]	medium	6	3	diarylmethane
thiophenes	[no description available]	medium	1	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
mercaptopurine	[no description available]	medium	3	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
pyrimidine	[no description available]	medium	1	0	diazine; pyrimidines	Daphnia magna metabolite
methyl-1alpha, 7alpha-dihydroxy-3-oxopregn-4-en-21-oate	[no description available]	medium	1	0
tyrosine	[no description available]	medium	2	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine	EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
creatine	[no description available]	medium	2	0	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
cystine	[no description available]	medium	1	0
metformin	[no description available]	medium	1	0	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
d-alpha tocopherol	[no description available]	medium	8	3	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite
streptomycin	[no description available]	medium	2	0	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
tetracycline	[no description available]	medium	2	0
iodine	[no description available]	medium	9	0	diatomic iodine	nutrient
procaine	[no description available]	medium	3	0	benzoate ester; substituted aniline; tertiary amino compound	central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug
thymidine	[no description available]	medium	5	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
methylene blue	[no description available]	medium	1	0	organic chloride salt	acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer
methazolamide	[no description available]	medium	2	0	sulfonamide; thiadiazoles
lysine	[no description available]	medium	1	0	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
mannitol	[no description available]	medium	2	0	mannitol	allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent
dichlorphenamide	[no description available]	medium	1	0	dichlorobenzene; sulfonamide	antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor; ophthalmology drug
arsenic	[no description available]	medium	1	0	metalloid atom; pnictogen	micronutrient
glyceraldehyde	[no description available]	medium	1	0	aldotriose	fundamental metabolite
mercury	[no description available]	medium	2	0	elemental mercury; zinc group element atom	neurotoxin
cyanides	[no description available]	medium	4	0	pseudohalide anion	EC 1.9.3.1 (cytochrome c oxidase) inhibitor
aminosalicylic acid	[no description available]	medium	1	0	aminobenzoic acid; phenols	antitubercular agent
sodium salicylate	[no description available]	medium	5	0	organic molecular entity
sulfanilamide	[no description available]	medium	1	0	substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor
enkephalin, methionine	[no description available]	medium	1	0
enkephalinamide-met, ala(2)-	[no description available]	medium	1	0
pentaerythritol tetranitrate	[no description available]	medium	2	0	pentaerythritol nitrate	explosive; vasodilator agent
nitroglycerin	[no description available]	medium	3	0	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
thiamine	[no description available]	medium	3	1	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
cellulose	[no description available]	medium	2	0	glycoside
caffeine citrate	[no description available]	medium	1	0
choline	[no description available]	medium	2	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
atropine	[no description available]	medium	3	1
dyphylline	[no description available]	medium	4	0	oxopurine; propane-1,2-diols	bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; muscle relaxant; vasodilator agent
adenosine kinase	[no description available]	medium	3	0
malonic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid	human metabolite
trigonelline	[no description available]	medium	2	0	alkaloid; iminium betaine	food component; human urinary metabolite; plant metabolite
potassium iodide	[no description available]	medium	1	0	potassium salt	expectorant; radical scavenger
iodine	[no description available]	medium	4	0	halide anion; monoatomic iodine	human metabolite
salicylates	[no description available]	medium	8	0	monohydroxybenzoate	plant metabolite
chloroform	[no description available]	medium	2	0	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
8-cyclopropyltheophylline	[no description available]	medium	1	0
mrs 1191	[no description available]	medium	1	0	cinnamate ester
dihydropyridines	[no description available]	medium	1	0
picrotoxin	[no description available]	medium	2	0
8-(dicyclopropylmethyl)-1,3-dipropylxanthine	[no description available]	medium	1	0
fura-2	[no description available]	medium	5	0
dextroamphetamine	[no description available]	medium	3	0	1-phenylpropan-2-amine	adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent
thioinosine	[no description available]	medium	3	0
9-(2-hydroxy-3-nonyl)adenine	[no description available]	medium	2	0
5,5',6,6'-tetrachloro-1,1',3,3'-tetraethylbenzimidazolocarbocyanine	[no description available]	medium	1	0	cyanine dye; indolium ion	fluorochrome
carbocyanines	[no description available]	medium	1	0	cyanine dye; organic iodide salt	fluorochrome
sincalide	[no description available]	medium	1	0	oligopeptide
pentobarbital	[no description available]	medium	3	0	barbiturates	GABAA receptor agonist
heroin	[no description available]	medium	1	1	morphinane alkaloid	mu-opioid receptor agonist; opioid analgesic; prodrug
methadone	[no description available]	medium	2	1	benzenes; diarylmethane; ketone; tertiary amino compound
sumatriptan	[no description available]	medium	1	0	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
technetium tc 99m exametazime	[no description available]	medium	1	0
adenosine monophosphate	[no description available]	medium	2	0	adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
3-o-methylglucose	[no description available]	medium	1	0	D-aldohexose derivative
p-aminohippuric acid	[no description available]	medium	1	0	N-acylglycine	Daphnia magna metabolite
fluoxetine	[no description available]	medium	3	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
delphinidin	[no description available]	medium	1	0	5-hydroxyanthocyanidin	antineoplastic agent; biological pigment; plant metabolite
cyanidin	[no description available]	medium	1	0	5-hydroxyanthocyanidin	antioxidant; metabolite; neuroprotective agent
linalool	[no description available]	medium	1	0	monoterpenoid; tertiary alcohol	antimicrobial agent; fragrance; plant metabolite; volatile oil component
propylene glycol	[no description available]	medium	1	0	glycol; propane-1,2-diols	allergen; human xenobiotic metabolite; mouse metabolite; protic solvent
am-356	[no description available]	medium	1	0	fatty amide
mrs 1220	[no description available]	medium	2	0	quinazolines
ng-nitroarginine methyl ester	[no description available]	medium	4	0	alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor
thioacetamide	[no description available]	medium	1	0	thiocarboxamide	hepatotoxic agent
istradefylline	[no description available]	medium	2	0	oxopurine
scopolamine hydrobromide	[no description available]	medium	3	1
n,n-dimethyltryptamine	[no description available]	medium	1	1	tryptamine alkaloid; tryptamines
bufotenin	[no description available]	medium	1	1	tertiary amine; tryptamine alkaloid	coral metabolite; hallucinogen
xanthenes	[no description available]	medium	5	0	xanthene
nadp	[no description available]	medium	3	0
cgs 24012	[no description available]	medium	9	0
propranolol	[no description available]	medium	11	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
pemetrexed	[no description available]	medium	1	0	N-acyl-L-glutamic acid; pyrrolopyrimidine	antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor
rolofylline	[no description available]	medium	1	0	oxopurine
3-(3,4-dimethoxyphenyl)propenoic acid	[no description available]	medium	1	0	methoxycinnamic acid
quinine	[no description available]	medium	5	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
denatonium benzoate	[no description available]	medium	1	0
glycyl-l-phenylalanine	[no description available]	medium	1	0	dipeptide zwitterion; dipeptide	human metabolite; metabolite
acid phosphatase	[no description available]	medium	2	0
ubiquinone	[no description available]	medium	1	0
salicylsalicylic acid	[no description available]	medium	1	0	benzoate ester; benzoic acids; phenols; salicylates	antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
cytidine	[no description available]	medium	1	0	cytidines	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
antipyrine	[no description available]	medium	4	0	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
propyphenazone	[no description available]	medium	1	0	pyrazolone	non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
sucrose	[no description available]	medium	1	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
docusate	[no description available]	medium	1	0	diester; organosulfonic acid
3-methoxybenzamide	[no description available]	medium	1	0
chloroquine	[no description available]	medium	1	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
5-methylnicotinamide	[no description available]	medium	1	0
ici 63197	[no description available]	medium	1	0	triazolopyrimidines
D-fructopyranose	[no description available]	medium	2	1	cyclic hemiketal; D-fructose; fructopyranose	sweetening agent
potassium cyanide	[no description available]	medium	2	0	cyanide salt; one-carbon compound; potassium salt	EC 1.15.1.1 (superoxide dismutase) inhibitor; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; neurotoxin
isoproterenol	[no description available]	medium	12	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
pituitrin	[no description available]	medium	1	0
bucladesine	[no description available]	medium	16	0	3',5'-cyclic purine nucleotide
dihydroergotoxine	[no description available]	medium	5	2
dihydroalprenolol	[no description available]	medium	1	0
mopidamol	[no description available]	medium	2	0	dialkylarylamine; tertiary amino compound
suloctidil	[no description available]	medium	1	0
diltiazem	[no description available]	medium	2	0	5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate	antihypertensive agent; calcium channel blocker; vasodilator agent
deuterium	[no description available]	medium	2	0	dihydrogen
deuterium oxide	[no description available]	medium	1	0	deuterated compound; water	NMR solvent
vitamin a, pentifyllin, nicotinic acid, and vitamin e combination	[no description available]	medium	6	2
xenon radioisotopes	[no description available]	medium	4	3
hexobendine	[no description available]	medium	2	1	trihydroxybenzoic acid
etofylline	[no description available]	medium	3	1	oxopurine
fibrinogen	[no description available]	medium	19	2	iditol	fungal metabolite
flunarizine	[no description available]	medium	1	1	diarylmethane
sulfur	[no description available]	medium	1	0	chalcogen; nonmetal atom	macronutrient
mesterolone	[no description available]	medium	1	1	3-oxo-5alpha-steroid
dihydrotestosterone	[no description available]	medium	1	1	17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
enclomiphene	[no description available]	medium	1	1
thiotepa	[no description available]	medium	4	0	aziridines
sodium hydroxide	[no description available]	medium	1	0	alkali metal hydroxide
thromboxane b2	[no description available]	medium	4	1	thromboxanes B	human metabolite; mouse metabolite
6-ketoprostaglandin f1 alpha	[no description available]	medium	7	2	prostaglandins Falpha	human metabolite; mouse metabolite
nafronyl	[no description available]	medium	5	1	naphthalenes
almitrine	[no description available]	medium	1	0	piperazines; triamino-1,3,5-triazine	central nervous system stimulant
benfurodil	[no description available]	medium	1	0
benzofurans	[no description available]	medium	1	0
almitrine, raubasine drug combination	[no description available]	medium	1	0
2,3-diphosphoglycerate	[no description available]	medium	4	0	bisphosphoglyceric acid; tetronic acid derivative	human metabolite
xanthinol niacinate	[no description available]	medium	12	3
lisofylline	[no description available]	medium	8	0	1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione	anti-inflammatory agent; immunomodulator
thromboxane a2	[no description available]	medium	1	0	epoxy monocarboxylic acid; thromboxanes A	mouse metabolite
arachidonic acid	[no description available]	medium	3	0	icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid	Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite
urethane	[no description available]	medium	1	0	carbamate ester	fungal metabolite; mutagen
trifluoperazine	[no description available]	medium	1	0	N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines	antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug
glucagon	[no description available]	medium	4	0	peptide hormone
buflomedil	[no description available]	medium	4	1	aromatic ketone
nylidrin	[no description available]	medium	1	1	alkylbenzene
gastrins	[no description available]	medium	2	0
levamisole	[no description available]	medium	1	0	6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole	antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator
thymosin	[no description available]	medium	1	0
6-amino-5-(formyl-n-methylamino)-1,3-dimethyluracil	[no description available]	medium	2	0
trifluoroacetic acid	[no description available]	medium	1	0	fluoroalkanoic acid	human xenobiotic metabolite; NMR chemical shift reference compound; reagent
methylene chloride	[no description available]	medium	1	0	chloromethanes; volatile organic compound	carcinogenic agent; polar aprotic solvent; refrigerant
halothane	[no description available]	medium	1	0	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
3-methylcholanthrene	[no description available]	medium	4	0	ortho- and peri-fused polycyclic arene	aryl hydrocarbon receptor agonist; carcinogenic agent
aminoimidazole carboxamide	[no description available]	medium	2	0	aminoimidazole; monocarboxylic acid amide	mouse metabolite
aica ribonucleotide	[no description available]	medium	2	0	1-(phosphoribosyl)imidazolecarboxamide; aminoimidazole	cardiovascular drug; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
gp 1-515	[no description available]	medium	1	0
s-adenosylhomocysteine	[no description available]	medium	2	0	adenosines; amino acid zwitterion; homocysteine derivative; homocysteines; organic sulfide	cofactor; EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor; EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor; epitope; fundamental metabolite
s-adenosylmethionine	[no description available]	medium	4	0	organic cation; sulfonium compound	coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
web 2086	[no description available]	medium	1	0	organonitrogen heterocyclic compound; organosulfur heterocyclic compound
1-hexadecyl-2-acetyl-glycero-3-phosphocholine	[no description available]	medium	2	0	2-acetyl-1-alkyl-sn-glycero-3-phosphocholine	antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent
glyoxal	[no description available]	medium	2	0	dialdehyde	agrochemical; allergen; pesticide; plant growth regulator
pyruvaldehyde	[no description available]	medium	1	0	2-oxo aldehyde; propanals	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
diethylnitrosamine	[no description available]	medium	1	0	nitrosamine	carcinogenic agent; hepatotoxic agent; mutagen
2-aminopurine	[no description available]	medium	1	0	2-aminopurines; nucleobase analogue	antimetabolite
dantrolene	[no description available]	medium	1	0	hydrazone; imidazolidine-2,4-dione	muscle relaxant; neuroprotective agent; ryanodine receptor antagonist
2-chloro-n(6)cyclopentyladenosine	[no description available]	medium	6	0
deoxyglucose	[no description available]	medium	1	0
phenethylamine	[no description available]	medium	1	0	alkaloid; aralkylamine; phenylethylamine	Escherichia coli metabolite; human metabolite; mouse metabolite
phenethylamine	[no description available]	medium	1	1	alkaloid; aralkylamine; phenylethylamine	Escherichia coli metabolite; human metabolite; mouse metabolite
beta-carboline-3-carboxylic acid ethyl ester	[no description available]	medium	1	0	beta-carbolines
midazolam	[no description available]	medium	1	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
tetrodotoxin	[no description available]	medium	3	0	azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid	animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker
oxidopamine	[no description available]	medium	2	0	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
gentamicin	[no description available]	medium	2	0
phenylephrine	[no description available]	medium	1	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
arginine vasopressin	[no description available]	medium	1	0	vasopressin	cardiovascular drug; hematologic agent; mitogen
trimethadione	[no description available]	medium	1	0	oxazolidinone	anticonvulsant; geroprotector
bilirubin	[no description available]	medium	1	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
quinpirole	[no description available]	medium	1	0	pyrazoloquinoline	dopamine agonist
ergoline	[no description available]	medium	2	1	diamine; ergoline alkaloid; indole alkaloid fundamental parent; indole alkaloid; organic heterotetracyclic compound
guanethidine	[no description available]	medium	2	0	azocanes; guanidines	adrenergic antagonist; antihypertensive agent; sympatholytic agent
diadenosine 5',5''''-p1,p6-hexaphosphate	[no description available]	medium	1	0	diadenosyl hexaphosphate	vasoconstrictor agent
nickel chloride	[no description available]	medium	1	0	nickel coordination entity	calcium channel blocker; hapten
nickel	[no description available]	medium	1	0	metal allergen; nickel group element atom	epitope; micronutrient
manganese	[no description available]	medium	2	0	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
p(1),p(5)-di(adenosine-5'-)pentaphosphate	[no description available]	medium	2	0	organophosphate oxoanion
d 609	[no description available]	medium	1	0
brotizolam	[no description available]	medium	1	1	organic molecular entity
irinotecan	[no description available]	medium	1	0	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
phosphorus	[no description available]	medium	3	0	monoatomic phosphorus; nonmetal atom; pnictogen	macronutrient
hydrogen cyanide	[no description available]	medium	1	0	hydracid; one-carbon compound	Escherichia coli metabolite; human metabolite; poison
iberiotoxin	[no description available]	medium	1	0
omega-agatoxin iva	[no description available]	medium	1	0
5-iodotubercidin	[no description available]	medium	1	0	organoiodine compound
amiloride	[no description available]	medium	3	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
mocetinostat	[no description available]	medium	1	0	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
sodium dodecyl sulfate	[no description available]	medium	1	0	organic sodium salt	detergent; protein denaturant
glycine	[no description available]	medium	2	0	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
glycogen	[no description available]	medium	3	0
proadifen	[no description available]	medium	3	0	diarylmethane
methimazole	[no description available]	medium	1	0	1,3-dihydroimidazole-2-thiones	antithyroid drug
n-(1-methyl-2-phenylethyl)adenosine	[no description available]	medium	6	0
8-chlorotheophylline	[no description available]	medium	2	0	organochlorine compound; purines	central nervous system stimulant
metoprolol	[no description available]	medium	3	1	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
beta-endorphin	[no description available]	medium	1	0
adenosine amine congener	[no description available]	medium	1	0
kf 17837s	[no description available]	medium	1	0
inosine	[no description available]	medium	6	0	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
diphenhydramine	[no description available]	medium	2	0	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative
dibucaine	[no description available]	medium	2	0	aromatic ether; monocarboxylic acid amide; tertiary amino compound	topical anaesthetic
zithromax	[no description available]	medium	1	0	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
amikacin	[no description available]	medium	1	0	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin
nicorandil	[no description available]	medium	2	0	nitrate ester; pyridinecarboxamide	potassium channel opener; vasodilator agent
cromakalim	[no description available]	medium	1	0
neutral red	[no description available]	medium	1	0	hydrochloride	acid-base indicator; dye; two-colour indicator
4-anisyltetrazolium blue	[no description available]	medium	1	0	organic chloride salt	dye
coomassie brilliant blue r	[no description available]	medium	1	0
acebutolol	[no description available]	medium	1	0	alpha-D-glucosyl-(1->4)-D-mannopyranose
vasoactive intestinal peptide	[no description available]	medium	2	0
quipazine	[no description available]	medium	1	0	piperazines; pyridines
6-nitroquipazine	[no description available]	medium	1	0	nitro compound; quinolines
dinitrobenzenes	[no description available]	medium	1	0
sulfasalazine	[no description available]	medium	1	0
2-methylthio-atp	[no description available]	medium	2	0
fluorescein	[no description available]	medium	2	0	2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye	fluorescent dye; radioopaque medium
1,4-dioxane	[no description available]	medium	1	0	dioxane; volatile organic compound	carcinogenic agent; metabolite; NMR chemical shift reference compound; non-polar solvent
sulforhodamine 101	[no description available]	medium	1	0	organic heteroheptacyclic compound	fluorochrome
fluo-3	[no description available]	medium	1	0	xanthene dye	fluorochrome
2-(2-(5-carboxy)oxazole)-5-hydroxy-6-aminobenzofuran-n,n,o-triacetic acid	[no description available]	medium	1	0
pyrroles	[no description available]	medium	1	0	pyrrole; secondary amine
kt 5720	[no description available]	medium	1	0	carboxylic ester; gamma-lactam; hemiaminal; indolocarbazole; organic heterooctacyclic compound; semisynthetic derivative; tertiary alcohol	EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor
n-formylmethionine leucyl-phenylalanine	[no description available]	medium	6	0	tripeptide
buspirone	[no description available]	medium	1	0	azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
adenosine-3',5'-cyclic phosphorothioate	[no description available]	medium	1	0	nucleoside 3',5'-cyclic phosphorothioate
nan 190	[no description available]	medium	1	0	N-alkylpiperazine; N-arylpiperazine; phthalimides	serotonergic antagonist
fk 838	[no description available]	medium	1	0
ornithine	[no description available]	medium	1	0	non-proteinogenic L-alpha-amino acid; ornithine	algal metabolite; hepatoprotective agent; mouse metabolite
2-((2-aminoethylamino)carbonylethylphenylethylamino)-5'-n-ethylcarboxamidoadenosine	[no description available]	medium	1	0
cocaine	[no description available]	medium	12	2	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic
cocaine	[no description available]	medium	12	0	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic
5'-amino-5'-deoxyadenosine	[no description available]	medium	1	0
pentostatin	[no description available]	medium	1	0	coformycins	antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor
ascorbic acid	[no description available]	medium	3	1	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
benzydamine	[no description available]	medium	1	0	aromatic ether; indazoles; tertiary amino compound	analgesic; central nervous system stimulant; hallucinogen; local anaesthetic; non-steroidal anti-inflammatory drug
benzydamine n-oxide	[no description available]	medium	1	0
pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid	[no description available]	medium	3	0	arenesulfonic acid; azobenzenes; methylpyridines; monohydroxypyridine; organic phosphate; pyridinecarbaldehyde	purinergic receptor P2X antagonist
pyridoxal phosphate	[no description available]	medium	3	0	methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate	coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyrrolidonecarboxylic acid	[no description available]	medium	1	0	5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid	algal metabolite
pyroglutamyl-glutamyl-proline amide	[no description available]	medium	1	0	oligopeptide
phenyl acetate	[no description available]	medium	2	0	benzenes; phenyl acetates
angiotensin ii	[no description available]	medium	3	0	amino acid zwitterion; angiotensin II	human metabolite
coenzyme a	[no description available]	medium	1	0	adenosine 3',5'-bisphosphate	coenzyme; Escherichia coli metabolite; mouse metabolite
mercaptoethanol	[no description available]	medium	1	0	alkanethiol; primary alcohol	geroprotector
5-aminovaleric acid	[no description available]	medium	1	0	amino acid zwitterion; delta-amino acid; omega-amino fatty acid	human metabolite
cadmium	[no description available]	medium	1	0	cadmium molecular entity; zinc group element atom
n-methylnicotinamide	[no description available]	medium	1	0	pyridinecarboxamide	metabolite
acetaldehyde	[no description available]	medium	1	0	aldehyde	carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent
hypoxanthine	[no description available]	medium	1	0	nucleobase analogue; oxopurine; purine nucleobase	fundamental metabolite
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine	[no description available]	medium	2	0	adenosines; monocarboxylic acid amide; organoiodine compound	adenosine A3 receptor agonist
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine	[no description available]	medium	1	0	methylpyridines; phenylpyridine; tetrahydropyridine	neurotoxin
methylmethacrylate	[no description available]	medium	1	0	enoate ester; methyl ester	allergen; polymerisation monomer
hydroxycitric acid	[no description available]	medium	1	0	carbonyl compound
picolinic acid	[no description available]	medium	1	0	pyridinemonocarboxylic acid	human metabolite; MALDI matrix material
oxazoles	[no description available]	medium	1	0	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
xestospongin a	[no description available]	medium	1	0
warfarin	[no description available]	medium	5	2	benzenes; hydroxycoumarin; methyl ketone
homocysteine	[no description available]	medium	1	0	amino acid zwitterion; homocysteine; serine family amino acid	fundamental metabolite; mouse metabolite
fluorescein-5-isothiocyanate	[no description available]	medium	1	0	fluorescein isothiocyanate
bradykinin	[no description available]	medium	1	0	oligopeptide	human blood serum metabolite; vasodilator agent
levoleucovorin	[no description available]	medium	1	0	5-formyltetrahydrofolic acid	antineoplastic agent; metabolite
gr 73632	[no description available]	medium	1	0
p-methoxy-n-methylphenethylamine	[no description available]	medium	1	0	aromatic ether; secondary amino compound	metabolite
sr 140333	[no description available]	medium	1	0
quinuclidines	[no description available]	medium	1	0	quinuclidines; saturated organic heterobicyclic parent
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid	[no description available]	medium	1	0
aldosterone	[no description available]	medium	2	0	11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde	human metabolite; mouse metabolite
n 0861	[no description available]	medium	1	0
ceruletide	[no description available]	medium	1	0	oligopeptide	diagnostic agent; gastrointestinal drug
phentermine	[no description available]	medium	1	0	primary amine	adrenergic agent; appetite depressant; central nervous system drug; central nervous system stimulant; dopaminergic agent; sympathomimetic agent
clomipramine	[no description available]	medium	1	0	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
thiazolyl blue	[no description available]	medium	1	0	organic bromide salt	colorimetric reagent; dye
idazoxan	[no description available]	medium	1	0	benzodioxine; imidazolines	alpha-adrenergic antagonist
6-anilino-5,8-quinolinedione	[no description available]	medium	1	0	aminoquinoline; aromatic amine; p-quinones; quinolone	antineoplastic agent; EC 4.6.1.2 (guanylate cyclase) inhibitor
guanosine 5'-o-(3-thiotriphosphate)	[no description available]	medium	1	0	nucleoside triphosphate analogue
norpseudoephedrine	[no description available]	medium	1	0	amphetamines; phenethylamine alkaloid	central nervous system stimulant; plant metabolite; psychotropic drug
norpseudoephedrine	[no description available]	medium	1	1	amphetamines; phenethylamine alkaloid	central nervous system stimulant; plant metabolite; psychotropic drug
phenylpropanolamine	[no description available]	medium	1	1	amphetamines; phenethylamine alkaloid	plant metabolite
laminaran	[no description available]	medium	1	0
epiglucan	[no description available]	medium	1	0
glutaral	[no description available]	medium	1	0	dialdehyde	cross-linking reagent; disinfectant; fixative
leucine	[no description available]	medium	1	0	amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
lanatosides	[no description available]	medium	1	0
magnesium sulfate	[no description available]	medium	1	0	magnesium salt; metal sulfate; organic magnesium salt	anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent
azauridine	[no description available]	medium	1	0	N-glycosyl-1,2,4-triazine	antimetabolite; antineoplastic agent; drug metabolite
phosphatidylcholines	[no description available]	medium	1	0	1,2-diacyl-sn-glycero-3-phosphocholine
bencyclane	[no description available]	medium	2	0	benzenes
nitrites	[no description available]	medium	2	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
thallium	[no description available]	medium	1	0	boron group element atom
strychnine	[no description available]	medium	3	0	monoterpenoid indole alkaloid; organic heteroheptacyclic compound	avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide
pyridoxine	[no description available]	medium	1	1	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
riboflavin	[no description available]	medium	1	1	flavin; vitamin B2	anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite
deferoxamine	[no description available]	medium	1	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
edetic acid	[no description available]	medium	4	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
technetium	[no description available]	medium	2	0	manganese group element atom
bismuth	[no description available]	medium	2	0	metal atom; pnictogen
pregnanediol	[no description available]	medium	1	0
amobarbital	[no description available]	medium	2	0	barbiturates
cyclandelate	[no description available]	medium	1	0	carboxylic ester; secondary alcohol	vasodilator agent
isoxsuprine	[no description available]	medium	1	0	alkylbenzene
meclofenoxate	[no description available]	medium	2	0	monocarboxylic acid
diazepam	[no description available]	medium	3	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
secobarbital	[no description available]	medium	1	0	barbiturates	anaesthesia adjuvant; GABA modulator; sedative
neurotensin	[no description available]	medium	1	0	peptide hormone	human metabolite; mitogen; neurotransmitter; vulnerary
methamphetamine	[no description available]	medium	1	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
1-deaza-2-chloro-n(6)-cyclopentyladenosine	[no description available]	medium	1	0
1-butanol	[no description available]	medium	2	0	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
nicergoline	[no description available]	medium	1	1	organic heterotetracyclic compound; organonitrogen heterocyclic compound
dithiothreitol	[no description available]	medium	1	0	1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol	chelator; human metabolite; reducing agent
cysteine	[no description available]	medium	2	0	cysteinium	fundamental metabolite
metyrapone	[no description available]	medium	1	0	aromatic ketone	antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
n-acetyl-4-benzoquinoneimine	[no description available]	medium	1	0	ketoimine; quinone imine
galactosamine	[no description available]	medium	1	0	D-galactosamine; primary amino compound	toxin
hwa 138	[no description available]	medium	3	0
torbafylline	[no description available]	medium	6	0
diethylstilbestrol	[no description available]	medium	2	0	olefinic compound; polyphenol	antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen
chlordiazepoxide	[no description available]	medium	2	0	benzodiazepine
pargyline	[no description available]	medium	1	0	aromatic amine
5-hydroxytryptophan	[no description available]	medium	1	0	hydroxytryptophan	human metabolite; neurotransmitter
st 587	[no description available]	medium	1	0
clonidine	[no description available]	medium	2	0	clonidine; imidazoline
iloprost	[no description available]	medium	1	0	carbobicyclic compound; monocarboxylic acid; secondary alcohol	platelet aggregation inhibitor; vasodilator agent
xylazine	[no description available]	medium	1	0	1,3-thiazine; methylbenzene; secondary amino compound	alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative
taprostene	[no description available]	medium	2	0	benzoic acids
clindamycin	[no description available]	medium	1	0
penicillin g	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
lanthanum	[no description available]	medium	1	0	f-block element atom; lanthanoid atom; scandium group element atom
mercuric chloride	[no description available]	medium	1	0	mercury coordination entity	sensitiser
glycerol	[no description available]	medium	2	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
acenocoumarol	[no description available]	medium	1	1	C-nitro compound; hydroxycoumarin; methyl ketone	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
ticlopidine	[no description available]	medium	2	0	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
taurocholic acid	[no description available]	medium	1	0	amino sulfonic acid; bile acid taurine conjugate	human metabolite
ketanserin	[no description available]	medium	2	1	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
hydrogen carbonate	[no description available]	medium	1	1	carbon oxoanion	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
inosinic acid	[no description available]	medium	1	0	inosine phosphate; purine ribonucleoside 5'-monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
sulfinpyrazone	[no description available]	medium	2	0	pyrazolidines; sulfoxide	uricosuric drug
celiprolol	[no description available]	medium	1	1	aromatic ketone
phosphocreatine	[no description available]	medium	1	0	phosphagen; phosphoamino acid	human metabolite; mouse metabolite
flunitrazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes	anxiolytic drug; GABAA receptor agonist; sedative
succinic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid; C4-dicarboxylic acid	anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent
thiobarbituric acid	[no description available]	medium	1	0	barbiturates	allergen; reagent
trichloroepoxypropane	[no description available]	medium	1	1
diphenylhexatriene	[no description available]	medium	1	0	alkatriene	fluorochrome
mechlorethamine	[no description available]	medium	1	0	nitrogen mustard; organochlorine compound	alkylating agent
cetiedil	[no description available]	medium	1	0	azepanes
pantothenic acid	[no description available]	medium	1	0	pantothenic acid; vitamin B5	antidote to curare poisoning; geroprotector; human blood serum metabolite
pantogab	[no description available]	medium	1	0
diclofenac	[no description available]	medium	1	0	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
concanavalin a	[no description available]	medium	1	0
ly 171883	[no description available]	medium	1	0	acetophenones; aromatic ether; phenols; tetrazoles	anti-asthmatic drug; leukotriene antagonist
tolazoline	[no description available]	medium	2	0	imidazoles	alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent
emetine	[no description available]	medium	1	0	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor
cytarabine	[no description available]	medium	2	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
fenton's reagent	[no description available]	medium	1	0
alcian blue	[no description available]	medium	1	0
fructose-1,6-diphosphate	[no description available]	medium	1	0
flurbiprofen	[no description available]	medium	1	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
phenprocoumon	[no description available]	medium	1	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
menthol	[no description available]	medium	1	0	p-menthane monoterpenoid; secondary alcohol	volatile oil component
benzohexonium	[no description available]	medium	1	0
pentamine	[no description available]	medium	1	0
cefoxitin	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative	antibacterial drug
calcitriol	[no description available]	medium	1	0	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical
bamifylline	[no description available]	medium	1	0	oxopurine
phenoxybenzamine	[no description available]	medium	1	0	aromatic amine
ammonium sulfate	[no description available]	medium	1	0	ammonium salt; inorganic sulfate salt	fertilizer
propafenone	[no description available]	medium	1	0	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug
aluminum chloride	[no description available]	medium	1	0	aluminium coordination entity	Lewis acid
galactose	[no description available]	medium	1	0
phentolamine	[no description available]	medium	3	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
hydrazine	[no description available]	medium	2	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
oxyphenbutazone	[no description available]	medium	1	0	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite
phenindione	[no description available]	medium	1	0	aromatic ketone; beta-diketone	anticoagulant
sulfisoxazole	[no description available]	medium	1	0	isoxazoles; sulfonamide antibiotic; sulfonamide	antibacterial drug; drug allergen
sulfamethoxazole	[no description available]	medium	1	0	isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic
propylthiouracil	[no description available]	medium	1	0	pyrimidinethione	antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist
floxuridine	[no description available]	medium	1	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent
cholecystokinin	[no description available]	medium	2	0
bromine	[no description available]	medium	1	0	diatomic bromine
tetracaine	[no description available]	medium	1	0	benzoate ester; tertiary amino compound	local anaesthetic
lysergic acid diethylamide	[no description available]	medium	1	0	ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound	dopamine agonist; hallucinogen; serotonergic agonist
meprobamate	[no description available]	medium	1	0	organic molecular entity
chlorpromazine	[no description available]	medium	2	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
dihydroxyphenylalanine	[no description available]	medium	1	0	hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative	human metabolite
naphazoline	[no description available]	medium	1	0	naphthalenes
histidine	[no description available]	medium	1	0	amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
pilocarpine	[no description available]	medium	1	0	pilocarpine	antiglaucoma drug
meperidine	[no description available]	medium	1	0	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
hydroflumethiazide	[no description available]	medium	1	0	benzothiadiazine; thiazide	antihypertensive agent; diuretic
phenylalanine	[no description available]	medium	1	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid	algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
chlorthalidone	[no description available]	medium	1	0	isoindoles; monochlorobenzenes; sulfonamide
bethanidine	[no description available]	medium	1	0	guanidines	adrenergic antagonist; antihypertensive agent
pyrazines	[no description available]	medium	1	0	diazine; pyrazines	Daphnia magna metabolite
tyramine	[no description available]	medium	1	0	monoamine molecular messenger; primary amino compound; tyramines	EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter
molybdenum	[no description available]	medium	1	0	chromium group element atom	micronutrient
tungsten	[no description available]	medium	1	0	chromium group element atom	micronutrient
silicon	[no description available]	medium	1	0	carbon group element atom; metalloid atom; nonmetal atom
glycosides	[no description available]	medium	1	0
phosphoenolpyruvate	[no description available]	medium	1	0	carboxyalkyl phosphate; monocarboxylic acid	fundamental metabolite
dextropropoxyphene	[no description available]	medium	3	1	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
serine	[no description available]	medium	1	0	L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
agar	[no description available]	medium	1	0
probenecid	[no description available]	medium	1	0	benzoic acids; sulfonamide	uricosuric drug
folic acid	[no description available]	medium	1	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
pteridines	[no description available]	medium	1	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; pteridines
lead	[no description available]	medium	1	0	carbon group element atom; elemental lead; metal atom	neurotoxin
methionine	[no description available]	medium	2	0	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
neostigmine	[no description available]	medium	1	0	quaternary ammonium ion	antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor
chlormerodrin	[no description available]	medium	1	0	organomercury compound; ureas	diagnostic agent; diuretic
sorbitol	[no description available]	medium	1	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
ammonium hydroxide	[no description available]	medium	2	0	azane; gas molecular entity; mononuclear parent hydride	EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant
hydantoins	[no description available]	medium	1	0	imidazolidine-2,4-dione
amphetamine	[no description available]	medium	1	0	primary amine
ethionine	[no description available]	medium	1	0	S-ethylhomocysteine	antimetabolite; carcinogenic agent
benzene	[no description available]	medium	1	0	aromatic annulene; benzenes; volatile organic compound	carcinogenic agent; environmental contaminant; non-polar solvent
thiamine pyrophosphate	[no description available]	medium	2	0	organic chloride salt; vitamin B1
methyltestosterone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone	anabolic agent; androgen; antineoplastic agent
bromide	[no description available]	medium	1	0	halide anion; monoatomic bromine
apnea	[no description available]	medium	5	0	purine nucleoside
isomethyleugenol	[no description available]	medium	17	0	isomethyleugenol
exudates	[no description available]	medium	1	0
fomesafen	[no description available]	medium	2	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
egg white	[no description available]	medium	1	0
s,n,n'-tripropylthiocarbamate	[no description available]	medium	1	0	tertiary amine
kava	[no description available]	medium	1	0
foxes	[no description available]	medium	1	0
eye	[no description available]	medium	3	0
fusarium	[no description available]	medium	1	0
carbon monoxide	[no description available]	low	0	0	carbon oxide; gas molecular entity; one-carbon compound	biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent
hydrogen sulfide	[no description available]	low	0	0	gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride	Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent
nitrous oxide	[no description available]	low	0	0	gas molecular entity; nitrogen oxide	analgesic; bacterial metabolite; food packaging gas; food propellant; general anaesthetic; greenhouse gas; inhalation anaesthetic; NMDA receptor antagonist; raising agent; refrigerant; vasodilator agent
methacholine	[no description available]	low	0	0	acetate ester; quaternary ammonium ion	bronchoconstrictor agent; cholinergic agonist; epitope; muscarinic agonist; vasodilator agent
amlodipine	[no description available]	low	0	0	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
betahistine	[no description available]	low	0	0	aminoalkylpyridine; secondary amino compound	H1-receptor agonist; vasodilator agent
carvedilol	[no description available]	low	0	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
dilazep	[no description available]	low	0	0	benzoate ester; diazepane; diester; methoxybenzenes	cardioprotective agent; platelet aggregation inhibitor; vasodilator agent
doxazosin	[no description available]	low	0	0	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent
fenoldopam	[no description available]	low	0	0	benzazepine	alpha-adrenergic agonist; antihypertensive agent; dopamine agonist; dopaminergic antagonist; vasodilator agent
fasudil	[no description available]	low	0	0	isoquinolines; N-sulfonyldiazepane	antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent
hydralazine	[no description available]	low	0	0	azaarene; hydrazines; ortho-fused heteroarene; phthalazines	antihypertensive agent; vasodilator agent
molsidomine	[no description available]	low	0	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
pimobendan	[no description available]	low	0	0	benzimidazoles; pyridazinone	cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
troglitazone	[no description available]	low	0	0	chromanes; thiazolidinone	anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent
isosorbide dinitrate	[no description available]	low	0	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
nicotinic acid benzyl ester	[no description available]	low	0	0	benzyl ester	vasodilator agent
nicotinyl alcohol	[no description available]	low	0	0	aromatic primary alcohol; pyridines	antilipemic drug; vasodilator agent
isoamyl nitrite	[no description available]	low	0	0	nitrite esters	antihypertensive agent; vasodilator agent
bucladesine	[no description available]	low	0	0	3',5'-cyclic purine nucleotide; butanamides; butyrate ester	agonist; cardiotonic drug; vasodilator agent
n-pentyl nitrite	[no description available]	low	0	0	nitrite esters	vasodilator agent
pentamethonium	[no description available]	low	0	0	quaternary ammonium ion	antihypertensive agent; vasodilator agent
tetramethylpyrazine	[no description available]	low	0	0	alkaloid; pyrazines	antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
diallyl trisulfide	[no description available]	low	0	0	organic trisulfide	anti-inflammatory agent; antilipemic drug; antineoplastic agent; antioxidant; antiprotozoal drug; apoptosis inducer; estrogen receptor antagonist; insecticide; platelet aggregation inhibitor; vasodilator agent
trimethaphan	[no description available]	low	0	0	sulfonium compound	anaesthesia adjuvant; antihypertensive agent; nicotinic antagonist; vasodilator agent
isosorbide-5-mononitrate	[no description available]	low	0	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
clonixin	[no description available]	low	0	0	aminopyridine; organochlorine compound; pyridinemonocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent
dotarizine	[no description available]	low	0	0	cyclic ketal; dioxolane; N-alkylpiperazine	calcium channel blocker; serotonergic antagonist; vasodilator agent
amlodipine besylate	[no description available]	low	0	0	organosulfonate salt	antihypertensive agent; calcium channel blocker; vasodilator agent
d 888	[no description available]	low	0	0	aromatic ether; nitrile; tertiary amino compound	anti-arrhythmia drug; calcium channel blocker; vasodilator agent
spathulenol	[no description available]	low	0	0	carbotricyclic compound; olefinic compound; sesquiterpenoid; tertiary alcohol	anaesthetic; plant metabolite; vasodilator agent; volatile oil component
zofenopril	[no description available]	low	0	0	aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thioester	anticonvulsant; apoptosis inhibitor; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug; vasodilator agent
eupatorin	[no description available]	low	0	0	dihydroxyflavone; polyphenol; trimethoxyflavone	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; Brassica napus metabolite; calcium channel blocker; P450 inhibitor; vasodilator agent
dihydroergocristine	[no description available]	low	0	0	ergot alkaloid	adrenergic antagonist; vasodilator agent
quinaprilat	[no description available]	low	0	0	dicarboxylic acid; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent
tadalafil	[no description available]	low	0	0	benzodioxoles; pyrazinopyridoindole	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
nitroflurbiprofen	[no description available]	low	0	0	biphenyls; carboxylic ester; nitrate ester; organofluorine compound	cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector; non-steroidal anti-inflammatory drug; vasodilator agent
cgp 42112a	[no description available]	low	0	0	benzyl ester; oligopeptide; pyridinecarboxamide	angiotensin receptor agonist; anti-inflammatory agent; antineoplastic agent; neuroprotective agent; vasodilator agent
angiotensin ii, des-phe(8)-	[no description available]	low	0	0	amino acid zwitterion; angiotensin	vasodilator agent
fasudil hydrochloride	[no description available]	low	0	0	hydrochloride	antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; neuroprotective agent; nootropic agent; vasodilator agent
oxytocin	[no description available]	low	0	0	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
convallatoxin	[no description available]	low	0	0	14beta-hydroxy steroid; 19-oxo steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; steroid aldehyde; steroid lactone	metabolite; vasodilator agent
raubasine	[no description available]	low	0	0	methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound	alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent
colforsin daropate	[no description available]	low	0	0	acetate ester; carboxylic ester; cyclic ketone; diol; organic heterotricyclic compound; tertiary amino compound	adenylate cyclase agonist; antihypertensive agent; cardiotonic drug; vasodilator agent
cinnamaldehyde	[no description available]	low	0	0	3-phenylprop-2-enal; cinnamaldehydes	antifungal agent; EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor; flavouring agent; hypoglycemic agent; plant metabolite; sensitiser; vasodilator agent
1-0-octadecyl 2-0-acetyl sn-glycero-3-phosphorylcholine	[no description available]	low	0	0	2-acetyl-1-alkyl-sn-glycero-3-phosphocholine	antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent
or 1259	[no description available]	low	0	0	hydrazone; nitrile; pyridazinone	anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent
zofenoprilate	[no description available]	low	0	0	aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thiol	anticonvulsant; apoptosis inhibitor; cardioprotective agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent
lysine clonixinate	[no description available]	low	0	0	organoammonium salt	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent
petasin	[no description available]	low	0	0	alicyclic ketone; enoate ester; enone; sesquiterpenoid	anti-allergic agent; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} activator; plant metabolite; vasodilator agent
anandamide	[no description available]	low	0	0	endocannabinoid; N-acylethanolamine 20:4	human blood serum metabolite; neurotransmitter; vasodilator agent
sphingosine 1-phosphate	[no description available]	low	0	0	sphingoid 1-phosphate	mouse metabolite; signalling molecule; sphingosine-1-phosphate receptor agonist; T-cell proliferation inhibitor; vasodilator agent
erythrityl tetranitrate	[no description available]	low	0	0	nitrate ester	explosive; vasodilator agent
methyl brevifolincarboxylate	[no description available]	low	0	0	cyclic ketone; delta-lactone; organic heterotricyclic compound; phenols	EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite; platelet aggregation inhibitor; radical scavenger; vasodilator agent
ro 42-5892	[no description available]	low	0	0	cyclopropanes; diol; L-histidine derivative; secondary carboxamide; sulfone	antihypertensive agent; EC 3.4.23.15 (renin) inhibitor; peptidomimetic; vasodilator agent
beraprost	[no description available]	low	0	0	enyne; monocarboxylic acid; organic heterotricyclic compound; secondary alcohol; secondary allylic alcohol	anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent
u 62840	[no description available]	low	0	0	carbotricyclic compound; carboxylic acid	antihypertensive agent; cardiovascular drug; human blood serum metabolite; platelet aggregation inhibitor; vasodilator agent; vitamin K antagonist
jwh-133	[no description available]	low	0	0	benzochromene; dibenzopyran; organic heterotricyclic compound	analgesic; anti-inflammatory agent; antineoplastic agent; apoptosis inhibitor; CB2 receptor agonist; opioid analgesic; vasodilator agent
triacsin c	[no description available]	low	0	0	hydrazone; nitroso compound; olefinic compound	antimalarial; apoptosis inhibitor; bacterial metabolite; EC 3.1.1.64 (retinoid isomerohydrolase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; vasodilator agent
s-nitrosocysteine	[no description available]	low	0	0	L-cysteine derivative; nitrosothio compound	hematologic agent; platelet aggregation inhibitor; vasodilator agent
bay 58-2667	[no description available]	low	0	0	aromatic ether; benzoic acids; dicarboxylic acid; tertiary amino compound	antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
avanafil	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; organochlorine compound; prolinols; pyrimidines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
selexipag	[no description available]	low	0	0	aromatic amine; ether; monocarboxylic acid amide; N-sulfonylcarboxamide; pyrazines; tertiary amino compound	orphan drug; platelet aggregation inhibitor; prodrug; prostacyclin receptor agonist; vasodilator agent
mre 269	[no description available]	low	0	0	aromatic amine; ether; monocarboxylic acid; pyrazines; sulfonamide; tertiary amino compound	drug metabolite; orphan drug; platelet aggregation inhibitor; prostacyclin receptor agonist; vasodilator agent
n-arachidonoyl l-serine	[no description available]	low	0	0	N-(fatty acyl)-L-alpha-amino acid	cannabinoid receptor agonist; mammalian metabolite; neuroprotective agent; pro-angiogenic agent; vasodilator agent
bay 60-4552	[no description available]	low	0	0	aminopyrimidine; carbamate ester; monofluorobenzenes; pyrazolopyridine	antihypertensive agent; drug metabolite; soluble guanylate cyclase activator; vasodilator agent
beraprost sodium	[no description available]	low	0	0	organic sodium salt	anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent
vericiguat	[no description available]	low	0	0	aminopyrimidine; carbamate ester; organofluorine compound; pyrazolopyridine	antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
praliciguat	[no description available]	low	0	0	aminopyrimidine; isoxazoles; monofluorobenzenes; organofluorine compound; pyrazoles; secondary amino compound; tertiary alcohol	anti-inflammatory agent; antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
sildenafil	[no description available]	low	0	0	piperazines; pyrazolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
vardenafil	[no description available]	low	0	0	imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
sildenafil citrate	[no description available]	low	0	0	citrate salt	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
mirodenafil	[no description available]	low	0	0	aromatic ether; N-alkylpiperazine; primary alcohol; pyrrolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
azelastine	[no description available]	low	0	0	monochlorobenzenes; phthalazines; tertiary amino compound	anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor
berotek	[no description available]	low	0	0	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent
methoxyphenamine	[no description available]	low	0	0	amphetamines	beta-adrenergic agonist; bronchodilator agent
terbutaline	[no description available]	low	0	0	phenylethanolamines; resorcinols	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent
diphemanil methylsulfate	[no description available]	low	0	0	piperidines; quaternary ammonium salt	bronchodilator agent; muscarinic antagonist; parasympatholytic
pseudoephedrine	[no description available]	low	0	0	phenylethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
colterol	[no description available]	low	0	0	catechols; ethanolamines; secondary alcohol; secondary amino compound; triol	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent
bitolterol	[no description available]	low	0	0	carboxylic ester; diester; ethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; prodrug
azelastine hydrochloride	[no description available]	low	0	0	hydrochloride	anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor
bambuterol hydrochloride	[no description available]	low	0	0	carbamate ester; hydrochloride; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent
bambuterol	[no description available]	low	0	0	carbamate ester; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent
rp 73401	[no description available]	low	0	0	aromatic ether; benzamides; chloropyridine; monocarboxylic acid amide	anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; phosphodiesterase IV inhibitor
fluticasone propionate	[no description available]	low	0	0	11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; propanoate ester; steroid ester; thioester	adrenergic agent; anti-allergic agent; anti-asthmatic drug; anti-inflammatory drug; bronchodilator agent; dermatologic drug
arformoterol	[no description available]	low	0	0	N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent
nab-365	[no description available]	low	0	0	hydrochloride	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
indacaterol	[no description available]	low	0	0	indanes; monohydroxyquinoline; quinolone; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent
vilanterol	[no description available]	low	0	0	benzyl alcohols; dichlorobenzene; ether; phenols; secondary amino compound	beta-adrenergic agonist; bronchodilator agent
olodaterol	[no description available]	low	0	0	aromatic ether; benzoxazine; phenols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent
aclidinium bromide	[no description available]	low	0	0	organic bromide salt; quaternary ammonium salt	bronchodilator agent; muscarinic antagonist
pentadecanoic acid	[no description available]	low	0	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; food component; human blood serum metabolite; plant metabolite
gallocatechol	[no description available]	low	0	0	catechin; flavan-3,3',4',5,5',7-hexol	antioxidant; food component; plant metabolite
stachydrine	[no description available]	low	0	0	alkaloid; amino-acid betaine; N-methyl-L-alpha-amino acid	food component; human blood serum metabolite; plant metabolite
elaidic acid	[no description available]	low	0	0	octadec-9-enoic acid	food component
trans-4-coumaric acid	[no description available]	low	0	0	4-coumaric acid	food component; mouse metabolite; plant metabolite
7-hydroxycoumarin	[no description available]	low	0	0	hydroxycoumarin	fluorescent probe; food component; plant metabolite
beta-tocopherol	[no description available]	low	0	0	tocopherol; vitamin E	food component; plant metabolite
2,3-dihydroxybenzoic acid	[no description available]	low	0	0	dihydroxybenzoic acid	human xenobiotic metabolite; plant metabolite
tartronic acid	[no description available]	low	0	0	dicarboxylic acid; dicarboxylic fatty acid	plant metabolite
3-phenylpropionic acid	[no description available]	low	0	0	benzenes; monocarboxylic acid	antifungal agent; human metabolite; plant metabolite
4-hydroxybenzyl alcohol	[no description available]	low	0	0	benzyl alcohols; phenols	plant metabolite
4-hydroxybenzaldehyde	[no description available]	low	0	0	hydroxybenzaldehyde	EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor; mouse metabolite; plant metabolite
4-hydroxyphenylacetic acid	[no description available]	low	0	0	monocarboxylic acid; phenols	fungal metabolite; human metabolite; mouse metabolite; plant metabolite
4-hydroxybenzoic acid	[no description available]	low	0	0	monohydroxybenzoic acid	algal metabolite; plant metabolite
aminolevulinic acid	[no description available]	low	0	0	4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid	antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite
allantoic acid	[no description available]	low	0	0	ureas	mouse metabolite; plant metabolite
benzaldehyde	[no description available]	low	0	0	benzaldehydes	EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite
betaine aldehyde	[no description available]	low	0	0	quaternary ammonium ion	Aspergillus metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite
cadaverine	[no description available]	low	0	0	alkane-alpha,omega-diamine	Daphnia magna metabolite; Escherichia coli metabolite; mouse metabolite; plant metabolite
coumarin	[no description available]	low	0	0	coumarins	fluorescent dye; human metabolite; plant metabolite
cuminol	[no description available]	low	0	0	benzyl alcohols; p-menthane monoterpenoid	fragrance; insect repellent; plant metabolite; volatile oil component; xenobiotic metabolite
cuminaldehyde	[no description available]	low	0	0	benzaldehydes	insecticide; plant metabolite; volatile oil component
4-vinylguaiacol	[no description available]	low	0	0	phenols	flavouring agent; pheromone; plant metabolite
4-methylumbelliferyl acetate	[no description available]	low	0	0	acetate ester; coumarins	plant metabolite
indoleacetamide	[no description available]	low	0	0	indoles; monocarboxylic acid amide; N-acylammonia	bacterial metabolite; fungal metabolite; plant metabolite
caprylic aldehyde	[no description available]	low	0	0	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	plant metabolite
n(1)-methylnicotinamide	[no description available]	low	0	0	pyridinium ion	algal metabolite; anti-inflammatory agent; human urinary metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
guaiacol	[no description available]	low	0	0	guaiacols	disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite
1-aminocyclopropane-1-carboxylic acid	[no description available]	low	0	0	amino acid zwitterion; monocarboxylic acid; non-proteinogenic alpha-amino acid	ethylene releasers; plant metabolite
3,4-dihydrocoumarin	[no description available]	low	0	0	chromanone	plant metabolite
homogentisic acid	[no description available]	low	0	0	dihydroxyphenylacetic acid; hydroquinones	human metabolite; plant metabolite
indol-3-yl pyruvic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; indol-3-yl carboxylic acid	plant metabolite; Saccharomyces cerevisiae metabolite
melilotic acid	[no description available]	low	0	0	monocarboxylic acid; phenols	bacterial xenobiotic metabolite; fungal xenobiotic metabolite; human xenobiotic metabolite; plant metabolite
racemethionine	[no description available]	low	0	0	alpha-amino acid; amino acid zwitterion; sulfur-containing amino acid	algal metabolite; Daphnia magna metabolite; Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
n-methylphenylethanolamine	[no description available]	low	0	0	alkaloid; phenylethanolamines	human metabolite; plant metabolite
naphthalene	[no description available]	low	0	0	naphthalenes; ortho-fused bicyclic arene	apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component
1-octanol	[no description available]	low	0	0	octanol; primary alcohol	antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite
oxalic acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid	algal metabolite; human metabolite; plant metabolite
palmitic acid	[no description available]	low	0	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite
phenylacetic acid	[no description available]	low	0	0	benzenes; monocarboxylic acid; phenylacetic acids	allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin
prephenic acid	[no description available]	low	0	0	oxo dicarboxylic acid	Escherichia coli metabolite; plant metabolite
pyridoxamine	[no description available]	low	0	0	aminoalkylpyridine; hydroxymethylpyridine; monohydroxypyridine; vitamin B6	Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite
pyrogallol	[no description available]	low	0	0	benzenetriol; phenolic donor	plant metabolite
tryptamine	[no description available]	low	0	0	aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines	human metabolite; mouse metabolite; plant metabolite
vanillin	[no description available]	low	0	0	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite
aminopropionitrile	[no description available]	low	0	0	aminopropionitrile	antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite
meglutol	[no description available]	low	0	0	3-hydroxy carboxylic acid; dicarboxylic acid; tertiary alcohol	anticholesteremic drug; antimetabolite; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; human metabolite; plant metabolite
methylbufotenin	[no description available]	low	0	0	aromatic ether; tertiary amino compound; tryptamine alkaloid	hallucinogen; plant metabolite
7,8-dihydroxyflavone	[no description available]	low	0	0	dihydroxyflavone	antidepressant; antineoplastic agent; antioxidant; plant metabolite; tropomyosin-related kinase B receptor agonist
anabasine	[no description available]	low	0	0	piperidine alkaloid; pyridine alkaloid	nicotinic acetylcholine receptor agonist; plant metabolite; teratogenic agent
acetovanillone	[no description available]	low	0	0	acetophenones; aromatic ketone; methyl ketone	antirheumatic drug; EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite
benzyl benzoate	[no description available]	low	0	0	benzoate ester; benzyl ester	acaricide; plant metabolite; scabicide
2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one	[no description available]	low	0	0	aromatic ether; benzoxazine; cyclic hydroxamic acid; lactol	allelochemical; plant metabolite
caffeic acid	[no description available]	low	0	0	catechols; hydroxycinnamic acid	antioxidant; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite
beta-glycerophosphoric acid	[no description available]	low	0	0	glycerol monophosphate	Escherichia coli metabolite; plant metabolite
camphor, (+-)-isomer	[no description available]	low	0	0	bornane monoterpenoid; cyclic monoterpene ketone	plant metabolite
cetyl alcohol	[no description available]	low	0	0	hexadecanol; long-chain primary fatty alcohol	algal metabolite; flavouring agent; human metabolite; plant metabolite
chrysanthemic acid	[no description available]	low	0	0	cyclopropanes; monocarboxylic acid	plant metabolite
colchicine, (+-)-isomer	[no description available]	low	0	0	acetamides; alkaloid; aromatic ether; carbotricyclic compound	microtubule-destabilising agent; plant metabolite
danthron	[no description available]	low	0	0	dihydroxyanthraquinone	apoptosis inducer; plant metabolite
decanoic acid	[no description available]	low	0	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; anti-inflammatory agent; antibacterial agent; human metabolite; plant metabolite; volatile oil component
benzophenone	[no description available]	low	0	0	benzophenones	photosensitizing agent; plant metabolite
guvacine	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; beta-amino acid; pyridine alkaloid; secondary amino compound; tetrahydropyridine	GABA reuptake inhibitor; plant metabolite
beta-thujaplicin	[no description available]	low	0	0	cyclic ketone; enol; monoterpenoid	antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite
indolepropionic acid	[no description available]	low	0	0	indol-3-yl carboxylic acid	auxin; human metabolite; plant metabolite
lauric acid	[no description available]	low	0	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; antibacterial agent; plant metabolite
4-aminobenzoic acid	[no description available]	low	0	0	aminobenzoate; aromatic amino-acid anion	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
protopine	[no description available]	low	0	0	dibenzazecine alkaloid	plant metabolite
safrole	[no description available]	low	0	0	benzodioxoles	flavouring agent; insecticide; metabolite; plant metabolite
sebacic acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human metabolite; plant metabolite
stearic acid	[no description available]	low	0	0	long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite
sulforaphane	[no description available]	low	0	0	isothiocyanate; sulfoxide	antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite
triacetin	[no description available]	low	0	0	triglyceride	adjuvant; antifungal drug; food additive carrier; food emulsifier; food humectant; fuel additive; plant metabolite; solvent
undecylenic acid	[no description available]	low	0	0	undecenoic acid	antifungal drug; plant metabolite
hydroxyproline	[no description available]	low	0	0	4-hydroxyproline; L-alpha-amino acid zwitterion	human metabolite; mouse metabolite; plant metabolite
dipropylenetriame	[no description available]	low	0	0	polyazaalkane	algal metabolite; plant metabolite
phenylethyl alcohol	[no description available]	low	0	0	benzenes; primary alcohol	Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite
ficusin	[no description available]	low	0	0	psoralens	plant metabolite
asparagine	[no description available]	low	0	0	amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
n-pentanol	[no description available]	low	0	0	pentanol; short-chain primary fatty alcohol	human metabolite; plant metabolite
threonine	[no description available]	low	0	0	amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
alizarin	[no description available]	low	0	0	dihydroxyanthraquinone	chromophore; dye; plant metabolite
isoleucine	[no description available]	low	0	0	aspartate family amino acid; isoleucine; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
ethane	[no description available]	low	0	0	alkane; gas molecular entity	plant metabolite; refrigerant
isophorone	[no description available]	low	0	0	cyclic ketone; enone	plant metabolite; solvent
isoprene	[no description available]	low	0	0	alkadiene; hemiterpene; volatile organic compound	plant metabolite
isobutylamine	[no description available]	low	0	0	alkylamines	plant metabolite
isobutyric acid	[no description available]	low	0	0	branched-chain saturated fatty acid; fatty acid 4:0; methyl-branched fatty acid	Daphnia magna metabolite; plant metabolite; volatile oil component
camphene	[no description available]	low	0	0	carbobicyclic compound; monoterpene	fragrance; plant metabolite
alpha-pinene	[no description available]	low	0	0	pinene	plant metabolite
purpurin	[no description available]	low	0	0	trihydroxyanthraquinone	biological pigment; histological dye; plant metabolite
2,6-dihydroxyanthraquinone	[no description available]	low	0	0	dihydroxyanthraquinone	antimutagen; plant metabolite
methyl n-methylanthranilate	[no description available]	low	0	0	benzoate ester; methyl ester; secondary amino compound; substituted aniline	animal metabolite; fungal metabolite; plant metabolite
2-furoic acid	[no description available]	low	0	0	furoic acid	bacterial xenobiotic metabolite; human xenobiotic metabolite; inhibitor; plant metabolite; Saccharomyces cerevisiae metabolite
piperitone	[no description available]	low	0	0	cyclic terpene ketone; p-menthane monoterpenoid	plant metabolite; volatile oil component
resacetophenone	[no description available]	low	0	0	dihydroxyacetophenone; resorcinols	plant metabolite
salicylaldehyde	[no description available]	low	0	0	hydroxybenzaldehyde	nematicide; plant metabolite
1-methylnaphthalene	[no description available]	low	0	0	methylnaphthalene	carcinogenic agent; plant metabolite
pyrogallol 1,3-dimethyl ether	[no description available]	low	0	0	dimethoxybenzene; phenols	plant metabolite
veratrole	[no description available]	low	0	0	dimethoxybenzene	plant metabolite
isatin	[no description available]	low	0	0	indoledione	EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
phenothiazine	[no description available]	low	0	0	phenothiazine	ferroptosis inhibitor; plant metabolite; radical scavenger
veratric acid	[no description available]	low	0	0	benzoic acids	allergen; plant metabolite
piperonylic acid	[no description available]	low	0	0	aromatic carboxylic acid; benzodioxoles; monocarboxylic acid	antifungal agent; EC 1.14.14.91 ( trans-cinnamate 4-monooxygenase) inhibitor; plant metabolite; vulnerary
benzothiazole	[no description available]	low	0	0	benzothiazoles	environmental contaminant; plant metabolite; xenobiotic
2-methylbutanal	[no description available]	low	0	0	2-methyl-branched fatty aldehyde; methylbutanal	plant metabolite; Saccharomyces cerevisiae metabolite; volatile oil component
methylcyclopentane	[no description available]	low	0	0	cycloalkane; volatile organic compound	human metabolite; plant metabolite
phosphoribosyl pyrophosphate	[no description available]	low	0	0	5-O-phosphono-D-ribofuranosyl diphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite
2-methylvaleric acid	[no description available]	low	0	0	branched-chain saturated fatty acid; methyl-branched fatty acid; monocarboxylic acid; short-chain fatty acid	flavouring agent; fragrance; plant metabolite
ethyl 2-methylpropanoate	[no description available]	low	0	0	fatty acid ethyl ester	plant metabolite
3-hydroxybenzoic acid	[no description available]	low	0	0	monohydroxybenzoic acid	bacterial metabolite; plant metabolite
methyl gallate	[no description available]	low	0	0	gallate ester	anti-inflammatory agent; antioxidant; plant metabolite
carveol	[no description available]	low	0	0	limonene monoterpenoid	plant metabolite; volatile oil component
methylparaben	[no description available]	low	0	0	paraben	antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite
alpha phellandrene	[no description available]	low	0	0	cyclohexadiene; phellandrene	antimicrobial agent; plant metabolite; volatile oil component
gamma-terpinene	[no description available]	low	0	0	cyclohexadiene; monoterpene	antioxidant; human xenobiotic metabolite; plant metabolite; volatile oil component
alpha-terpinene	[no description available]	low	0	0	cyclohexadiene; monoterpene	plant metabolite; volatile oil component
4-cymene	[no description available]	low	0	0	monoterpene; toluenes	human urinary metabolite; plant metabolite; volatile oil component
4-hydroxyacetophenone	[no description available]	low	0	0	monohydroxyacetophenone	fungal metabolite; mouse metabolite; plant metabolite
4-anisic acid	[no description available]	low	0	0	methoxybenzoic acid	plant metabolite
styrene	[no description available]	low	0	0	styrenes; vinylarene; volatile organic compound	mouse metabolite; mutagen; plant metabolite
benzylamine	[no description available]	low	0	0	aralkylamine; primary amine	allergen; EC 3.5.5.1 (nitrilase) inhibitor; plant metabolite
anisole	[no description available]	low	0	0	monomethoxybenzene	plant metabolite
phenyl ether	[no description available]	low	0	0	aromatic ether	plant metabolite
1,3-diphenylurea	[no description available]	low	0	0	phenylureas	cytokinin; plant metabolite
3-phenylpropanal	[no description available]	low	0	0	aldehyde; benzenes	flavouring agent; plant metabolite
2-ethylhexanol	[no description available]	low	0	0	primary alcohol	plant metabolite; volatile oil component
4-methylbenzaldehyde	[no description available]	low	0	0	tolualdehyde	plant metabolite
ethyl butyrate	[no description available]	low	0	0	butyrate ester	plant metabolite
12-hydroxy stearic acid	[no description available]	low	0	0	hydroxyoctadecanoic acid; secondary alcohol	bacterial xenobiotic metabolite; plant metabolite
methyl caproate	[no description available]	low	0	0	fatty acid methyl ester; hexanoate ester	flavouring agent; plant metabolite
propanethiol	[no description available]	low	0	0	alkanethiol	plant metabolite
allyl alcohol	[no description available]	low	0	0	primary allylic alcohol; propenol	antibacterial agent; fungicide; herbicide; insecticide; plant metabolite
isoamylamine	[no description available]	low	0	0	primary aliphatic amine	bacterial metabolite; plant metabolite
2-pentanone	[no description available]	low	0	0	methyl ketone; pentanone	plant metabolite
methylcyclohexane	[no description available]	low	0	0	cycloalkane; volatile organic compound	aprotic solvent; human metabolite; plant metabolite
n-pentanoic acid	[no description available]	low	0	0	short-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
propyl acetate	[no description available]	low	0	0	acetate ester	fragrance; plant metabolite
allyl cyanide	[no description available]	low	0	0	aliphatic nitrile; olefinic compound	antifeedant; neurotoxin; plant metabolite
ethyl formate	[no description available]	low	0	0	ethyl ester; formate ester	fumigant; plant metabolite
pentanal	[no description available]	low	0	0	saturated fatty aldehyde	plant metabolite
piperidine	[no description available]	low	0	0	azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine	base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent
heptanoic acid	[no description available]	low	0	0	medium-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
1-hexanol	[no description available]	low	0	0	hexanol; primary alcohol	alarm pheromone; antibacterial agent; fragrance; plant metabolite
ethyl stearate	[no description available]	low	0	0	long-chain fatty acid ethyl ester; octadecanoate ester	plant metabolite
heptanol	[no description available]	low	0	0	heptanol; primary alcohol	flavouring agent; fragrance; gap junctional intercellular communication inhibitor; plant metabolite
nonane	[no description available]	low	0	0	alkane	plant metabolite; volatile oil component
pelargonic acid	[no description available]	low	0	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; antifeedant; Daphnia magna metabolite; plant metabolite
undecan-2-one	[no description available]	low	0	0	dialkyl ketone; methyl ketone	plant metabolite; rodenticide
octyl acetate	[no description available]	low	0	0	acetate ester	plant metabolite
decanaldehyde	[no description available]	low	0	0	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	antifungal agent; fragrance; plant metabolite
n-dodecane	[no description available]	low	0	0	alkane	plant metabolite
undecan-1-ol	[no description available]	low	0	0	primary alcohol; undecanol	flavouring agent; plant metabolite
undecanal	[no description available]	low	0	0	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	antimycobacterial drug; plant metabolite; volatile oil component
dodecanol	[no description available]	low	0	0	dodecanol; primary alcohol	bacterial metabolite; cosmetic; insect attractant; insecticide; pheromone; plant metabolite
1-tridecanol	[no description available]	low	0	0	long-chain primary fatty alcohol; tridecanol	bacterial metabolite; human metabolite; plant metabolite
myristyl alcohol	[no description available]	low	0	0	long-chain primary fatty alcohol; tetradecanol	pheromone; plant metabolite; volatile oil component
behenic acid	[no description available]	low	0	0	long-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
stearyl alcohol	[no description available]	low	0	0	long-chain primary fatty alcohol; octadecanol	algal metabolite; human metabolite; plant metabolite
eicosane	[no description available]	low	0	0	long-chain alkane	plant metabolite
3-hydroxy-3-methylbutene	[no description available]	low	0	0	olefinic compound; tertiary alcohol	animal metabolite; fragrance; pheromone; plant metabolite
3,4,5-trimethoxybenzoic acid	[no description available]	low	0	0	benzoic acids; methoxybenzenes	human urinary metabolite; human xenobiotic metabolite; plant metabolite
2-chlorobenzoic acid	[no description available]	low	0	0	2-halobenzoic acid; monochlorobenzoic acid	plant hormone; plant metabolite
scoparone	[no description available]	low	0	0	aromatic ether; coumarins	anti-allergic agent; anti-inflammatory agent; antihypertensive agent; antilipemic drug; immunosuppressive agent; plant metabolite
dimethoxyphenylethylamine	[no description available]	low	0	0	alkaloid; aromatic ether; phenylethylamine	allergen; plant metabolite
ethyl-p-hydroxybenzoate	[no description available]	low	0	0	ethyl ester; paraben	antifungal agent; antimicrobial food preservative; phytoestrogen; plant metabolite
piperonal	[no description available]	low	0	0	arenecarbaldehyde; benzodioxoles	fragrance; insect repellent; plant metabolite
vanillic acid	[no description available]	low	0	0	methoxybenzoic acid; monohydroxybenzoic acid	plant metabolite
peucedanin	[no description available]	low	0	0	aromatic ether; furanocoumarin; lactone	plant metabolite
syringaldehyde	[no description available]	low	0	0	dimethoxybenzene; hydroxybenzaldehyde	hypoglycemic agent; plant metabolite
2-aminothiophenol	[no description available]	low	0	0	aryl thiol; substituted aniline	plant metabolite
estragole	[no description available]	low	0	0	alkenylbenzene; monomethoxybenzene; phenylpropanoid	carcinogenic agent; flavouring agent; genotoxin; insect attractant; plant metabolite
citronellol	[no description available]	low	0	0	monoterpenoid	plant metabolite
ethyl acetoacetate	[no description available]	low	0	0	ethyl ester	antibacterial agent; flavouring agent; plant metabolite
2-hydroxypyridine	[no description available]	low	0	0	monohydroxypyridine	plant metabolite
hexanoic acid	[no description available]	low	0	0	medium-chain fatty acid; straight-chain saturated fatty acid	human metabolite; plant metabolite
n-heptane	[no description available]	low	0	0	alkane; volatile organic compound	non-polar solvent; plant metabolite
1-nonanol	[no description available]	low	0	0	nonanol; primary alcohol	antifungal agent; flavouring agent; plant metabolite; volatile oil component
2-vanillin	[no description available]	low	0	0	benzaldehydes; guaiacols	antimutagen; plant metabolite
citronellyl acetate	[no description available]	low	0	0	acetate ester; monoterpenoid	plant metabolite
chrysene	[no description available]	low	0	0	ortho-fused polycyclic arene	plant metabolite
azulene	[no description available]	low	0	0	azulenes; mancude carbobicyclic parent; ortho-fused bicyclic arene	plant metabolite; volatile oil component
pseudoephedrine hydrochloride	[no description available]	low	0	0	hydrochloride	plant metabolite
galantamine	[no description available]	low	0	0	benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound	antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite
citrulline	[no description available]	low	0	0	amino acid zwitterion; citrulline	Daphnia magna metabolite; EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; protective agent; Saccharomyces cerevisiae metabolite
4-methylcatechol	[no description available]	low	0	0	methylcatechol	antioxidant; carcinogenic agent; hapten; human metabolite; plant metabolite
beta-erythroidine	[no description available]	low	0	0	delta-lactone; indole alkaloid; organic heterotetracyclic compound; tertiary amino compound	muscle relaxant; plant metabolite
pinane	[no description available]	low	0	0	carbobicyclic compound; monoterpene; terpenoid fundamental parent	plant metabolite
naphthazarin	[no description available]	low	0	0	hydroxy-1,4-naphthoquinone	acaricide; antibacterial agent; antineoplastic agent; apoptosis inducer; geroprotector; plant metabolite
chrysophanic acid	[no description available]	low	0	0	dihydroxyanthraquinone	anti-inflammatory agent; antiviral agent; plant metabolite
reticulin	[no description available]	low	0	0	benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; isoquinolinol	plant metabolite
indole-3-carbaldehyde	[no description available]	low	0	0	heteroarenecarbaldehyde; indole alkaloid; indoles	bacterial metabolite; human xenobiotic metabolite; marine metabolite; plant metabolite
4-hydroxyphenylethanol	[no description available]	low	0	0	phenols	anti-arrhythmia drug; antioxidant; cardiovascular drug; fungal metabolite; geroprotector; plant metabolite; protective agent
phloretic acid	[no description available]	low	0	0	hydroxy monocarboxylic acid	plant metabolite
citronellic acid	[no description available]	low	0	0	medium-chain fatty acid; monoterpenoid; monounsaturated fatty acid	flavouring agent; plant metabolite
isovaleric acid	[no description available]	low	0	0	branched-chain saturated fatty acid; methylbutyric acid; short-chain fatty acid	mammalian metabolite; plant metabolite
iberin	[no description available]	low	0	0	isothiocyanate; sulfoxide	apoptosis inducer; plant metabolite; quorum sensing inhibitor
16-hydroxypalmitic acid	[no description available]	low	0	0	hydroxypalmitic acid; omega-hydroxy-long-chain fatty acid	plant metabolite
arachidic acid	[no description available]	low	0	0	long-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
octacosanoic acid	[no description available]	low	0	0	straight-chain saturated fatty acid; ultra-long-chain fatty acid	plant metabolite
ascaridole	[no description available]	low	0	0	organic heterobicyclic compound; organic peroxide; p-menthane monoterpenoid	antileishmanial agent; antinematodal drug; plant metabolite
abietic acid	[no description available]	low	0	0	abietane diterpenoid; monocarboxylic acid	plant metabolite
hematoxylin	[no description available]	low	0	0	organic heterotetracyclic compound; oxacycle; polyphenol; tertiary alcohol	histological dye; plant metabolite
pyridoxamine dihydrochloride	[no description available]	low	0	0	hydrochloride; vitamin B6	Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite
tryptophol	[no description available]	low	0	0	indolyl alcohol	auxin; plant metabolite; Saccharomyces cerevisiae metabolite
hemimellitene	[no description available]	low	0	0	trimethylbenzene	neurotoxin; plant metabolite
2-methylbenzaldehyde	[no description available]	low	0	0	tolualdehyde	plant metabolite
syringic acid	[no description available]	low	0	0	benzoic acids; dimethoxybenzene; phenols	plant metabolite
6-methoxybenzoxazolinone	[no description available]	low	0	0	aromatic ether; benzoxazole	antibacterial agent; anticonvulsant; antifungal agent; muscle relaxant; plant metabolite
1,1-dimethoxyethane	[no description available]	low	0	0	acetal; diether	flavouring agent; plant metabolite
2-methylfuran	[no description available]	low	0	0	furans; volatile organic compound	flavouring agent; fuel; hepatotoxic agent; human urinary metabolite; plant metabolite
perillyl alcohol	[no description available]	low	0	0	limonene monoterpenoid	plant metabolite; volatile oil component
cumic acid	[no description available]	low	0	0	cumic acid	plant metabolite
tricaprylin	[no description available]	low	0	0	octanoate ester; triglyceride	anticonvulsant; plant metabolite
senecioic acid	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; methyl-branched fatty acid; monounsaturated fatty acid; short-chain fatty acid	plant metabolite
3-hexen-1-ol	[no description available]	low	0	0	alkenyl alcohol; homoallylic alcohol; primary alcohol; volatile organic compound	plant metabolite
n-hexadecane	[no description available]	low	0	0	long-chain alkane	non-polar solvent; plant metabolite; volatile oil component
beta-phellandrene	[no description available]	low	0	0	phellandrene	plant metabolite
tristearin	[no description available]	low	0	0	triacylglycerol 54:0	Caenorhabditis elegans metabolite; plant metabolite
lignoceric acid	[no description available]	low	0	0	straight-chain saturated fatty acid; very long-chain fatty acid	Daphnia tenebrosa metabolite; human metabolite; plant metabolite; volatile oil component
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol	[no description available]	low	0	0	terpineol; tertiary alcohol	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiparasitic agent; apoptosis inducer; plant metabolite; volatile oil component
6-methylsalicylic acid	[no description available]	low	0	0	monohydroxybenzoic acid	Penicillium metabolite; plant metabolite
1-phenyl-1,2-propanedione	[no description available]	low	0	0	alpha-diketone; aromatic ketone	plant metabolite
2-methylcyclohexanone	[no description available]	low	0	0	cyclohexanones	flavouring agent; plant metabolite
terpinolene	[no description available]	low	0	0	p-menthadiene	insect repellent; plant metabolite; sedative; volatile oil component
isovalerylaldehyde	[no description available]	low	0	0	methylbutanal	flavouring agent; plant metabolite; Saccharomyces cerevisiae metabolite; volatile oil component
levulinic acid	[no description available]	low	0	0	oxopentanoic acid; straight-chain saturated fatty acid	plant metabolite
2-tridecanone	[no description available]	low	0	0	methyl ketone	flavouring agent; plant metabolite
octadecane	[no description available]	low	0	0	long-chain alkane	bacterial metabolite; plant metabolite
dimethylselenide	[no description available]	low	0	0	organoselenium compound	bacterial xenobiotic metabolite; plant metabolite
chorismic acid	[no description available]	low	0	0	5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
2-methyl-5-(1-methylethenyl)cyclohexanol	[no description available]	low	0	0	p-menthane monoterpenoid; secondary alcohol	acaricide; plant metabolite; volatile oil component
4-carboxybenzaladehyde	[no description available]	low	0	0	benzaldehydes; benzoic acids; monocarboxylic acid	plant metabolite
3-methylbenzaldehyde	[no description available]	low	0	0	tolualdehyde	plant metabolite
isovanillin	[no description available]	low	0	0	benzaldehydes; monomethoxybenzene; phenols	animal metabolite; antidiarrhoeal drug; antifungal agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; HIV protease inhibitor; plant metabolite
2,5-dimethylfuran	[no description available]	low	0	0	furans	antifungal agent; bacterial metabolite; fuel; fumigant; human urinary metabolite; Maillard reaction product; plant metabolite
2-hexanol	[no description available]	low	0	0	hexanol; secondary alcohol	human metabolite; plant metabolite; semiochemical
ethyl palmitate	[no description available]	low	0	0	hexadecanoate ester; long-chain fatty acid ethyl ester	plant metabolite
2-nonanol	[no description available]	low	0	0	nonanol; secondary alcohol	bacterial metabolite; flavouring agent; pheromone; plant metabolite; rat metabolite; volatile oil component
n-propyl disulfide	[no description available]	low	0	0	organic disulfide	plant metabolite
tridecane	[no description available]	low	0	0	long-chain alkane	plant metabolite; volatile oil component
n-tetradecane	[no description available]	low	0	0	long-chain alkane	plant metabolite; volatile oil component
pentadecane	[no description available]	low	0	0	long-chain alkane	animal metabolite; plant metabolite; volatile oil component
heptadecane	[no description available]	low	0	0	long-chain alkane	plant metabolite; volatile oil component
nonadecane	[no description available]	low	0	0	long-chain alkane	plant metabolite; volatile oil component
n-heneicosane	[no description available]	low	0	0	long-chain alkane	pheromone; plant metabolite; volatile oil component
docosane	[no description available]	low	0	0	long-chain alkane	plant metabolite
octacosane	[no description available]	low	0	0	long-chain alkane	plant metabolite
nonacosane	[no description available]	low	0	0	long-chain alkane	plant metabolite; volatile oil component
bulbocapnine	[no description available]	low	0	0	aporphine alkaloid; aromatic ether; oxacycle; phenols	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; EC 1.4.3.22 (diamine oxidase) inhibitor; plant metabolite
1,2,3-trimethoxybenzene	[no description available]	low	0	0	methoxybenzenes	plant metabolite
2-pyrrolecarboxylic acid	[no description available]	low	0	0	pyrrolecarboxylic acid	plant metabolite
tridecanoic acid	[no description available]	low	0	0	long-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
n-tricosane	[no description available]	low	0	0	long-chain alkane	plant metabolite; volatile oil component
2-propylphenol	[no description available]	low	0	0	phenols	flavouring agent; plant metabolite
isovanillic acid	[no description available]	low	0	0	methoxybenzoic acid; monohydroxybenzoic acid	antibacterial agent; plant metabolite
tetracosane	[no description available]	low	0	0	long-chain alkane	plant metabolite; volatile oil component
docosanol	[no description available]	low	0	0	docosanol; long-chain primary fatty alcohol	antiviral drug; plant metabolite
2-methylpyrrolidine	[no description available]	low	0	0	pyrrolidines	plant metabolite
2-nonanone	[no description available]	low	0	0	methyl ketone	plant metabolite
ethyl gallate	[no description available]	low	0	0	gallate ester	plant metabolite
3-methylfuran	[no description available]	low	0	0	furans; volatile organic compound	Aspergillus metabolite; environmental contaminant; fungal metabolite; Penicillium metabolite; plant metabolite
dihydroferulic acid	[no description available]	low	0	0	guaiacols; monocarboxylic acid; phenylpropanoid	antioxidant; human xenobiotic metabolite; mouse metabolite; plant metabolite
fenchone, (+-)-isomer	[no description available]	low	0	0	carbobicyclic compound; cyclic terpene ketone; fenchane monoterpenoid	plant metabolite
beta-pinene	[no description available]	low	0	0	pinene	plant metabolite
glycyrrhizic acid	[no description available]	low	0	0	enone; glucosiduronic acid; pentacyclic triterpenoid; tricarboxylic acid; triterpenoid saponin	EC 3.4.21.5 (thrombin) inhibitor; plant metabolite
selenomethionine	[no description available]	low	0	0	selenoamino acid; selenomethionines	plant metabolite
1-pentene-3-one	[no description available]	low	0	0	enone	flavouring agent; genotoxin; human metabolite; plant metabolite
dodecyldimethylamine oxide	[no description available]	low	0	0	tertiary amine oxide	detergent; plant metabolite
2-undecanol	[no description available]	low	0	0	secondary alcohol; undecanol	animal metabolite; flavouring agent; pheromone; plant metabolite; volatile oil component
digoxigenin	[no description available]	low	0	0	12beta-hydroxy steroid; 14beta-hydroxy steroid; 3beta-hydroxy steroid; 3beta-sterol	hapten; plant metabolite
heliamine	[no description available]	low	0	0	aromatic ether; diether; isoquinoline alkaloid; isoquinolines	plant metabolite
6h-dibenzo-(b,d)-pyran-6-one	[no description available]	low	0	0	benzochromenone	plant metabolite
diallyl disulfide	[no description available]	low	0	0	organic disulfide	antifungal agent; antineoplastic agent; plant metabolite
glaucine	[no description available]	low	0	0	aporphine alkaloid; organic heterotetracyclic compound; polyether; tertiary amino compound	antibacterial agent; antineoplastic agent; antitussive; muscle relaxant; NF-kappaB inhibitor; plant metabolite; platelet aggregation inhibitor; rat metabolite
dihydroconiferyl alcohol	[no description available]	low	0	0	eugenol; primary alcohol	plant metabolite
propyl benzoate	[no description available]	low	0	0	benzoate ester	antimicrobial food preservative; flavouring agent; plant metabolite
2-methoxy-1,4-naphthoquinone	[no description available]	low	0	0	1,4-naphthoquinones; enol ether	antimicrobial agent; metabolite; plant metabolite
tricosanoic acid	[no description available]	low	0	0	straight-chain saturated fatty acid; very long-chain fatty acid	Daphnia magna metabolite; human metabolite; plant metabolite
alpha-terpineol	[no description available]	low	0	0	terpineol	plant metabolite
acetosyringone	[no description available]	low	0	0	acetophenones; dimethoxybenzene; phenols	anti-asthmatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite
pentadecanal	[no description available]	low	0	0	2,3-saturated fatty aldehyde; long-chain fatty aldehyde	antimicrobial agent; plant metabolite; volatile oil component
2-ethylfuran	[no description available]	low	0	0	furans; volatile organic compound	bacterial metabolite; fragrance; Maillard reaction product; plant metabolite
sabinene	[no description available]	low	0	0	thujene	plant metabolite
palmatine	[no description available]	low	0	0	berberine alkaloid; organic heterotetracyclic compound	plant metabolite
n-butylbenzenesulfonamide	[no description available]	low	0	0	sulfonamide	neurotoxin; plant metabolite
furaneol	[no description available]	low	0	0	cyclic ketone; enol; furans	flavouring agent; fragrance; plant metabolite
methyl vanillate	[no description available]	low	0	0	aromatic ether; benzoate ester; phenols	antioxidant; plant metabolite
2-octanol	[no description available]	low	0	0	octanol; secondary alcohol	plant metabolite; volatile oil component
5-methoxyindole-2-carboxylic acid	[no description available]	low	0	0	aromatic ether; indolecarboxylic acid	EC 1.8.1.4 (dihydrolipoyl dehydrogenase) inhibitor; hypoglycemic agent; plant metabolite
canadine, (s)-isomer	[no description available]	low	0	0	an (S)-7,8,13,14-tetrahydroprotoberberine; canadine	plant metabolite
14-methylhexadecanoic acid	[no description available]	low	0	0	branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid	mammalian metabolite; plant metabolite
helenalin	[no description available]	low	0	0	cyclic ketone; gamma-lactone; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone	anti-inflammatory agent; antineoplastic agent; metabolite; plant metabolite
dimethyldiselenide	[no description available]	low	0	0	organoselenium compound	bacterial metabolite; human xenobiotic metabolite; mammalian metabolite; plant metabolite
isopentenyladenosine	[no description available]	low	0	0	N-ribosyl-N(6)-isopentenyladenine; nucleoside analogue	antineoplastic agent; plant growth regulator; plant metabolite
s-methylcysteine	[no description available]	low	0	0	S-alkyl-L-cysteine zwitterion; S-alkyl-L-cysteine	human urinary metabolite; plant metabolite
dihydrocarvone	[no description available]	low	0	0	dihydrocarvones	plant metabolite
marmesin, (r)-isomer	[no description available]	low	0	0	marmesin	plant metabolite; rat metabolite; xenobiotic metabolite
4-hydroxybenzylcyanide	[no description available]	low	0	0	hydroxynitrile	plant metabolite
2,3,5-trimethylpyrazine	[no description available]	low	0	0	pyrazines	animal metabolite; bacterial metabolite; flavouring agent; pheromone; plant metabolite
2,4-dihydroxy-1,4-benzoxazin-3-one	[no description available]	low	0	0	benzoxazine; cyclic hydroxamic acid; lactol	allelochemical; herbicide; phytotoxin; plant metabolite
precocene i	[no description available]	low	0	0	aromatic ether; chromenes	plant metabolite; precocenes
1-deoxynojirimycin	[no description available]	low	0	0	2-(hydroxymethyl)piperidine-3,4,5-triol; piperidine alkaloid	anti-HIV agent; anti-obesity agent; bacterial metabolite; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; hypoglycemic agent; plant metabolite
neohesperidin dihydrochalcone	[no description available]	low	0	0	dihydrochalcones; disaccharide derivative; neohesperidoside	environmental contaminant; plant metabolite; sweetening agent; xenobiotic
4-anisaldehyde	[no description available]	low	0	0	benzaldehydes	bacterial metabolite; human urinary metabolite; insect repellent; plant metabolite
myrcene	[no description available]	low	0	0	monoterpene	anabolic agent; anti-inflammatory agent; flavouring agent; fragrance; plant metabolite; volatile oil component
diacetone alcohol	[no description available]	low	0	0	beta-hydroxy ketone	plant metabolite
methyl tetradecanoate	[no description available]	low	0	0	fatty acid methyl ester	flavouring agent; fragrance; plant metabolite
nonanal	[no description available]	low	0	0	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	human metabolite; plant metabolite
tetradecanal	[no description available]	low	0	0	2,3-saturated fatty aldehyde; long-chain fatty aldehyde	bacterial metabolite; plant metabolite
silybin	[no description available]	low	0	0	aromatic ether; benzodioxine; flavonolignan; polyphenol; secondary alpha-hydroxy ketone	antineoplastic agent; antioxidant; hepatoprotective agent; plant metabolite
oxypeucadanin, (s)-(-)-isomer	[no description available]	low	0	0	epoxide; furanocoumarin; lactone	plant metabolite
amygdalin	[no description available]	low	0	0	cyanogenic glycoside; disaccharide derivative; gentiobioside	plant metabolite
octyl gallate	[no description available]	low	0	0	gallate ester	food antioxidant; hypoglycemic agent; plant metabolite
vanillyl alcohol	[no description available]	low	0	0	benzyl alcohols; guaiacols	plant metabolite
benzylaminopurine	[no description available]	low	0	0	6-aminopurines	cytokinin; plant metabolite
allyl methyl disulfide	[no description available]	low	0	0	organic disulfide	plant metabolite; volatile oil component
octyl glucoside	[no description available]	low	0	0	beta-D-glucoside	plant metabolite
dihydrochalcone	[no description available]	low	0	0	dihydrochalcones	plant metabolite
calanolide a	[no description available]	low	0	0	cyclic ether; delta-lactone; organic heterotetracyclic compound; secondary alcohol	HIV-1 reverse transcriptase inhibitor; plant metabolite
baicalin	[no description available]	low	0	0	dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative	antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug
salvin	[no description available]	low	0	0	abietane diterpenoid; carbotricyclic compound; catechols; monocarboxylic acid	angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; food preservative; HIV protease inhibitor; plant metabolite
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose	[no description available]	low	0	0	gallate ester; galloyl beta-D-glucose	anti-inflammatory agent; antineoplastic agent; geroprotector; hepatoprotective agent; plant metabolite; radiation protective agent; radical scavenger
obtusifoliol	[no description available]	low	0	0	14alpha-methyl steroid; 3beta-sterol	mouse metabolite; plant metabolite
secoisolariciresinol	[no description available]	low	0	0	secoisolariciresinol	antidepressant; phytoestrogen; plant metabolite
solanidine	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; solanid-5-en-3-ol; steroid alkaloid fundamental parent	plant metabolite; toxin
valerophenone	[no description available]	low	0	0	aromatic ketone	plant metabolite; volatile oil component
2,4,6-trihydroxyacetophenone	[no description available]	low	0	0	aromatic ketone; benzenetriol; methyl ketone	MALDI matrix material; plant metabolite
tangeretin	[no description available]	low	0	0	pentamethoxyflavone	antineoplastic agent; plant metabolite
djenkolic acid	[no description available]	low	0	0	dithioacetal; L-cysteine derivative; non-proteinogenic L-alpha-amino acid	plant metabolite; toxin
1-hexacosanol	[no description available]	low	0	0	hexacosanol; very long-chain primary fatty alcohol	insecticide; plant metabolite
actinidine	[no description available]	low	0	0	cyclopentapyridine; pyridine alkaloid	pheromone; plant metabolite
1-octacosanol	[no description available]	low	0	0	fatty alcohol 28:0; ultra-long-chain primary fatty alcohol	plant metabolite
suberosin	[no description available]	low	0	0	aromatic ether; coumarins	anticoagulant; plant metabolite
artemisinin	[no description available]	low	0	0	organic peroxide; sesquiterpene lactone	antimalarial; plant metabolite
methyl syringate	[no description available]	low	0	0	benzoate ester; dimethoxybenzene; phenols	plant metabolite
sesamin	[no description available]	low	0	0	benzodioxoles; furofuran; lignan	antineoplastic agent; neuroprotective agent; plant metabolite
nobiletin	[no description available]	low	0	0	methoxyflavone	antineoplastic agent; plant metabolite
lycorine	[no description available]	low	0	0	indolizidine alkaloid	anticoronaviral agent; antimalarial; plant metabolite; protein synthesis inhibitor
alantolactone	[no description available]	low	0	0	naphthofuran; olefinic compound; sesquiterpene lactone	antineoplastic agent; apoptosis inducer; plant metabolite
vexibinol	[no description available]	low	0	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; tetrahydroxyflavanone	antimalarial; antimicrobial agent; antioxidant; plant metabolite
kaurenoic acid	[no description available]	low	0	0	ent-kaurane diterpenoid	anti-HIV-1 agent; antineoplastic agent; plant metabolite
beta-amyrin	[no description available]	low	0	0	pentacyclic triterpenoid; secondary alcohol	Aspergillus metabolite; plant metabolite
pinostrobin	[no description available]	low	0	0	monohydroxyflavanone; monomethoxyflavanone	antidote; plant metabolite
xanthomicrol	[no description available]	low	0	0	dihydroxyflavone; trimethoxyflavone	antineoplastic agent; plant metabolite
voacamine	[no description available]	low	0	0	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; plant metabolite
isoalantolactone	[no description available]	low	0	0	eudesmane sesquiterpenoid; sesquiterpene lactone	antifungal agent; apoptosis inducer; plant metabolite
pulsatilla saponin a	[no description available]	low	0	0	disaccharide derivative; hydroxy monocarboxylic acid; pentacyclic triterpenoid; triterpenoid saponin	anti-inflammatory agent; plant metabolite
hederagenin	[no description available]	low	0	0	dihydroxy monocarboxylic acid; pentacyclic triterpenoid; sapogenin	plant metabolite
magnoflorine	[no description available]	low	0	0	aporphine alkaloid; quaternary ammonium ion	plant metabolite
brazilin	[no description available]	low	0	0	catechols; organic heterotetracyclic compound; tertiary alcohol	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; apoptosis inducer; biological pigment; hepatoprotective agent; histological dye; NF-kappaB inhibitor; plant metabolite
strychnine n-oxide	[no description available]	low	0	0	monoterpenoid indole alkaloid; organic heteroheptacyclic compound; tertiary amine oxide	plant metabolite
pinoresinol	[no description available]	low	0	0	pinoresinol	hypoglycemic agent; phytoestrogen; plant metabolite
dauricine	[no description available]	low	0	0	aromatic ether; bisbenzylisoquinoline alkaloid; isoquinolines; phenols; tertiary amino compound	plant metabolite
uvaretin	[no description available]	low	0	0	aromatic ether; dihydrochalcones; polyketide; resorcinol	antineoplastic agent; plant metabolite
fangchinoline	[no description available]	low	0	0	aromatic ether; bisbenzylisoquinoline alkaloid; macrocycle	anti-HIV-1 agent; anti-inflammatory agent; antineoplastic agent; antioxidant; neuroprotective agent; plant metabolite
sakuranetin	[no description available]	low	0	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; flavonoid phytoalexin; monomethoxyflavanone	antimycobacterial drug; plant metabolite
maslinic acid	[no description available]	low	0	0	dihydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; plant metabolite
indole-5-carboxylic acid	[no description available]	low	0	0	indolecarboxylic acid	plant metabolite
phenylalanylleucine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide	plant metabolite
ethyl protocatechuate	[no description available]	low	0	0	catechols; ethyl ester	antibacterial agent; antioxidant; apoptosis inducer; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; plant metabolite
3,5-dimethoxytoluene	[no description available]	low	0	0	methoxybenzenes; toluenes	fragrance; plant metabolite
methylthioethanol	[no description available]	low	0	0	aliphatic sulfide; primary alcohol	plant metabolite; xenobiotic metabolite
cryptolepine	[no description available]	low	0	0	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound	anti-inflammatory agent; antimalarial; antineoplastic agent; cysteine protease inhibitor; plant metabolite
alpha-bergamotene	[no description available]	low	0	0	bridged compound; polycyclic olefin; sesquiterpene	plant metabolite; volatile oil component
loganin	[no description available]	low	0	0	beta-D-glucoside; cyclopentapyran; enoate ester; iridoid monoterpenoid; methyl ester; monosaccharide derivative; secondary alcohol	anti-inflammatory agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; EC 3.4.23.46 (memapsin 2) inhibitor; neuroprotective agent; plant metabolite
4-methyl-4-sulfanylpentan-2-one	[no description available]	low	0	0	alkanethiol; methyl ketone	plant metabolite; Saccharomyces cerevisiae metabolite
5,7-dimethoxyflavone	[no description available]	low	0	0	dimethoxyflavone	plant metabolite
loganic acid	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; cyclopentapyran; glucoside	plant metabolite
cholest-4-en-3-one	[no description available]	low	0	0	3-oxo-Delta(4) steroid; cholestanoid	human metabolite; plant metabolite
delta-tocopherol	[no description available]	low	0	0	tocopherol; vitamin E	food antioxidant; plant metabolite
cycloartenol	[no description available]	low	0	0	3beta-sterol; pentacyclic triterpenoid; phytosterols	plant metabolite
beta-peltatin	[no description available]	low	0	0	furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols	antineoplastic agent; plant metabolite
elemol	[no description available]	low	0	0	olefinic compound; sesquiterpenoid; tertiary alcohol	fragrance; plant metabolite
vestitol	[no description available]	low	0	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	anti-inflammatory agent; phytoalexin; plant metabolite
gamma-tocopherol	[no description available]	low	0	0	tocopherol; vitamin E	algal metabolite; food antioxidant; plant metabolite
orotidine	[no description available]	low	0	0	nucleoside; pyrimidinemonocarboxylic acid; uridines	bacterial metabolite; fungal metabolite; plant metabolite
sugiol	[no description available]	low	0	0	abietane diterpenoid; carbotricyclic compound; cyclic terpene ketone; meroterpenoid; phenols	antineoplastic agent; antioxidant; antiviral agent; plant metabolite; radical scavenger
erythrose	[no description available]	low	0	0	erythrose	plant metabolite
24-methylene cycloartanol	[no description available]	low	0	0	3beta-hydroxy steroid; pentacyclic triterpenoid	plant metabolite
panose	[no description available]	low	0	0	trisaccharide	plant metabolite
bursehernin	[no description available]	low	0	0	aromatic ether; benzodioxoles; butan-4-olide; lignan	plant metabolite
sesaminol	[no description available]	low	0	0	benzodioxoles; furofuran; organic hydroxy compound	antioxidant; plant metabolite
4',5,6,7-tetramethoxyflavone	[no description available]	low	0	0	tetramethoxyflavone	antimutagen; plant metabolite
gardenin b	[no description available]	low	0	0	monohydroxyflavone; tetramethoxyflavone	plant metabolite
quercetin 5,7,3',4'-tetramethyl ether	[no description available]	low	0	0	flavonols; tetramethoxyflavone	plant metabolite
1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid	[no description available]	low	0	0	alpha-amino acid; aromatic amino acid; beta-carboline alkaloid	human urinary metabolite; human xenobiotic metabolite; plant metabolite; rat metabolite
sarsasapogenin, (3beta,5alpha,25r)-isomer	[no description available]	low	0	0	sapogenin	gout suppressant; plant metabolite
syringaresinol	[no description available]	low	0	0	aromatic ether; furofuran; lignan; polyether; polyphenol	plant metabolite
cyclolaudenol	[no description available]	low	0	0	3beta-hydroxy steroid; pentacyclic triterpenoid	plant metabolite
galgravin	[no description available]	low	0	0	aryltetrahydrofuran; dimethoxybenzene; lignan; ring assembly	bone density conservation agent; neuroprotective agent; plant metabolite; platelet aggregation inhibitor
erythrodiol	[no description available]	low	0	0	diol; pentacyclic triterpenoid; primary alcohol; secondary alcohol	plant metabolite
6,6-dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol	[no description available]	low	0	0	carbobicyclic compound; pinane monoterpenoid; secondary alcohol	GABA modulator; mouse metabolite; plant metabolite; volatile oil component
selenomethionine	[no description available]	low	0	0	amino acid zwitterion; selenomethionine	plant metabolite
1,9-dideoxyforskolin	[no description available]	low	0	0	acetate ester; labdane diterpenoid; organic heterotricyclic compound	plant metabolite
triptolide	[no description available]	low	0	0	diterpenoid; epoxide; gamma-lactam; organic heteroheptacyclic compound	antispermatogenic agent; plant metabolite
indospicine	[no description available]	low	0	0	carboxamidine; non-proteinogenic L-alpha-amino acid	hepatotoxic agent; plant metabolite
nimbin	[no description available]	low	0	0	acetate ester; cyclic terpene ketone; enone; furans; limonoid; methyl ester; tetracyclic triterpenoid	pesticide; plant metabolite
neoeriocitrin	[no description available]	low	0	0	4'-hydroxyflavanones; disaccharide derivative; flavanone glycoside; neohesperidoside; trihydroxyflavanone	plant metabolite
kahweol	[no description available]	low	0	0	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite
valerates	[no description available]	low	0	0	short-chain fatty acid anion; straight-chain saturated fatty acid anion	plant metabolite
liquiritigenin	[no description available]	low	0	0	4',7-dihydroxyflavanone	hormone agonist; plant metabolite
s-sulphocysteine	[no description available]	low	0	0	organic thiosulfate; S-substituted L-cysteine	human metabolite; plant metabolite
megestrol acetate	[no description available]	low	0	0	bridged compound; organic heterotetracyclic compound; secondary alcohol; sesquiterpene lactone; spiro compound; tertiary alcohol; tetrol	GABA antagonist; neurotoxin; phytogenic insecticide; plant metabolite
echinuline	[no description available]	low	0	0	2,5-diketopiperazines; indole alkaloid; indoles; olefinic compound	Aspergillus metabolite; marine metabolite; plant metabolite
cubebin	[no description available]	low	0	0	benzodioxoles; cyclic acetal; lactol; lignan; secondary alcohol	analgesic; anti-inflammatory agent; antimicrobial agent; histamine antagonist; plant metabolite; trypanocidal drug
1'-acetoxychavicol acetate	[no description available]	low	0	0	acetate ester; phenylpropanoid	antineoplastic agent; NF-kappaB inhibitor; plant metabolite
hydrangenol	[no description available]	low	0	0	dihydroisocoumarins; phenols	anti-allergic agent; plant metabolite
matairesinol	[no description available]	low	0	0	gamma-lactone; lignan; polyphenol	angiogenesis inhibitor; anti-asthmatic agent; phytoestrogen; plant metabolite
astilbin	[no description available]	low	0	0	3'-hydroxyflavanones; 4'-hydroxyflavanones; alpha-L-rhamnoside; flavanone glycoside; monosaccharide derivative; tetrahydroxyflavanone	anti-inflammatory agent; plant metabolite; radical scavenger
ginsenoside rh2	[no description available]	low	0	0	12beta-hydroxy steroid; 20-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	antineoplastic agent; apoptosis inducer; bone density conservation agent; cardioprotective agent; hepatoprotective agent; plant metabolite
mannopine	[no description available]	low	0	0	amino acid opine; dicarboxylic acid monoamide; hexitol derivative; L-glutamine derivative; non-proteinogenic L-alpha-amino acid; secondary amino compound	plant metabolite
ribulose-1,5 diphosphate	[no description available]	low	0	0	ribulose phosphate	Escherichia coli metabolite; plant metabolite
swertisin	[no description available]	low	0	0	dihydroxyflavone; flavone C-glycoside; monomethoxyflavone; monosaccharide derivative; polyphenol	adenosine A1 receptor antagonist; anti-inflammatory agent; antioxidant; hypoglycemic agent; plant metabolite
senegalensin	[no description available]	low	0	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone	antibacterial agent; plant metabolite
glabranin	[no description available]	low	0	0	(2S)-flavan-4-one; dihydroxyflavanone	plant metabolite
rubiadin	[no description available]	low	0	0	dihydroxyanthraquinone	antibacterial agent; antioxidant; hepatoprotective agent; plant metabolite
soranjidiol	[no description available]	low	0	0	dihydroxyanthraquinone	antibacterial agent; plant metabolite
skullcapflavone ii	[no description available]	low	0	0	dihydroxyflavone; tetramethoxyflavone	anti-asthmatic drug; plant metabolite
rubimaillin	[no description available]	low	0	0	benzochromene; methyl ester; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; neuroprotective agent; NF-kappaB inhibitor; plant metabolite
tiglic acid	[no description available]	low	0	0	2-methylbut-2-enoic acid	plant metabolite
psorospermin	[no description available]	low	0	0	epoxide; organic heterotetracyclic compound; xanthones	antineoplastic agent; plant metabolite
n-methylserotonin	[no description available]	low	0	0	phenols; tryptamines	human metabolite; plant metabolite
lyxonic acid	[no description available]	low	0	0	lyxonic acid	plant metabolite
kolaviron	[no description available]	low	0	0	4'-methoxyflavanones; biflavonoid; dihydroflavonols; ring assembly; secondary alpha-hydroxy ketone	hepatoprotective agent; plant metabolite
spinosin	[no description available]	low	0	0	dihydroxyflavone; flavone C-glycoside; monomethoxyflavone	anxiolytic drug; plant metabolite
acrovestone	[no description available]	low	0	0	acetophenones; aromatic ether; olefinic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite
cirsiliol	[no description available]	low	0	0	dimethoxyflavone; trihydroxyflavone	plant metabolite
matteucinol	[no description available]	low	0	0	4'-methoxyflavanones; dihydroxyflavanone; monomethoxyflavanone	plant metabolite; radical scavenger
guvacoline	[no description available]	low	0	0	alpha,beta-unsaturated carboxylic ester; beta-amino acid ester; enoate ester; methyl ester; pyridine alkaloid; secondary amino compound; tetrahydropyridine	muscarinic agonist; plant metabolite
corytuberine	[no description available]	low	0	0	aporphine alkaloid; aromatic ether; organic heterotetracyclic compound; polyphenol; tertiary amino compound	plant metabolite
actinodaphine	[no description available]	low	0	0	aporphine alkaloid; aromatic ether; organic heteropentacyclic compound; phenols; secondary amino compound	antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; plant metabolite; platelet aggregation inhibitor; topoisomerase inhibitor
ar-turmerone	[no description available]	low	0	0	enone; sesquiterpenoid	EC 3.1.1.7 (acetylcholinesterase) inhibitor; plant metabolite
isolariciresinol	[no description available]	low	0	0	guaiacols; lignan; polyphenol; primary alcohol	plant metabolite
4'-demethyldesoxypodophyllotoxin	[no description available]	low	0	0	furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes; phenols	antineoplastic agent; antioxidant; immunosuppressive agent; plant metabolite
t-cadinol	[no description available]	low	0	0	cadinane sesquiterpenoid; carbobicyclic compound; octahydronaphthalenes; tertiary alcohol	plant metabolite; volatile oil component
1-hydroxy-2-methylanthraquinone	[no description available]	low	0	0	monohydroxyanthraquinone	plant metabolite
nevadensin	[no description available]	low	0	0	dihydroxyflavone; trimethoxyflavone	plant metabolite
salvigenin	[no description available]	low	0	0	monohydroxyflavone; trimethoxyflavone	antilipemic drug; antineoplastic agent; apoptosis inhibitor; autophagy inducer; hypoglycemic agent; immunomodulator; neuroprotective agent; plant metabolite
secologanin	[no description available]	low	0	0	aldehyde; beta-D-glucoside; enoate ester; methyl ester; pyrans; secoiridoid glycoside	plant metabolite
columbianetin acetate	[no description available]	low	0	0	acetate ester; furanocoumarin	plant metabolite
maprounic acid	[no description available]	low	0	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	HIV-1 reverse transcriptase inhibitor; plant metabolite
acetyl aleuritolic acid	[no description available]	low	0	0	acetate ester; monocarboxylic acid; pentacyclic triterpenoid	antineoplastic agent; plant metabolite
myricanone	[no description available]	low	0	0	aromatic ether; cyclic ketone; diarylheptanoid; methoxybenzenes; phenols	antineoplastic agent; plant metabolite
glycyrrhetyl 3-monoglucuronide	[no description available]	low	0	0	beta-D-glucosiduronic acid; enone; monosaccharide derivative; oxo dicarboxylic acid; pentacyclic triterpenoid; triterpenoid saponin	anti-allergic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; human xenobiotic metabolite; plant metabolite; sweetening agent
hydroxysitosterol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 7alpha-hydroxy steroid	metabolite; plant metabolite
capsidiol	[no description available]	low	0	0	eremophilane sesquiterpenoid; octahydronaphthalenes; sesquiterpene phytoalexin	antifungal agent; plant metabolite
phaseollin (isoflavan)	[no description available]	low	0	0	hydroxyisoflavans	plant metabolite
cirsilineol	[no description available]	low	0	0	dihydroxyflavone; trimethoxyflavone	antineoplastic agent; plant metabolite
secoxyloganin	[no description available]	low	0	0	beta-D-glucoside; dicarboxylic acid monoester; enoate ester; methyl ester; monosaccharide derivative; pyrans; secoiridoid glycoside	anti-allergic agent; antioxidant; plant metabolite
butrin	[no description available]	low	0	0	4'-hydroxyflavanones; flavanone glycoside; monohydroxyflavanone	anti-inflammatory agent; plant metabolite
diplopterol	[no description available]	low	0	0	hopanoid; pentacyclic triterpenoid; tertiary alcohol	plant metabolite
anacardic acid	[no description available]	low	0	0	hydroxy monocarboxylic acid; hydroxybenzoic acid	anti-inflammatory agent; antibacterial agent; anticoronaviral agent; apoptosis inducer; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; neuroprotective agent; plant metabolite
confertin	[no description available]	low	0	0	cyclic ketone; gamma-lactone; organic heterotricyclic compound; pseudoguaianolide	anti-inflammatory agent; metabolite; plant metabolite
pluviatolide	[no description available]	low	0	0	aromatic ether; benzodioxoles; butan-4-olide; lignan; phenols	plant metabolite
pectolinarin	[no description available]	low	0	0	dimethoxyflavone; disaccharide derivative; glycosyloxyflavone; monohydroxyflavanone; rutinoside	anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; plant metabolite
albicanol	[no description available]	low	0	0	carbobicyclic compound; homoallylic alcohol; primary alcohol; sesquiterpenoid	antifeedant; antifungal agent; antineoplastic agent; fungal metabolite; mammalian metabolite; marine metabolite; plant metabolite
inuviscolide	[no description available]	low	0	0	gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone; tertiary alcohol	anti-inflammatory agent; plant metabolite
helioxanthin	[no description available]	low	0	0	benzodioxoles; furonaphthodioxole; lignan	anti-HBV agent; antineoplastic agent; plant metabolite
(2S)-5,7-dihydroxy-6,8-dimethylflavanone	[no description available]	low	0	0	dihydroxyflavanone	EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; plant metabolite
medioresinol	[no description available]	low	0	0	dimethoxybenzene; furofuran; lignan; polyphenol	plant metabolite
5-heptadecylresorcinol	[no description available]	low	0	0	5-alkylresorcinol	antineoplastic agent; plant metabolite
(+)-epicatechin	[no description available]	low	0	0	catechin; polyphenol	cyclooxygenase 1 inhibitor; plant metabolite
kobusin	[no description available]	low	0	0	benzodioxoles; dimethoxybenzene; furofuran; lignan	plant metabolite
nootkatol	[no description available]	low	0	0	6-isopropenyl-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol	plant metabolite
ergolide	[no description available]	low	0	0	acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	anti-inflammatory agent; antineoplastic agent; metabolite; NF-kappaB inhibitor; plant metabolite
dihydroresveratrol	[no description available]	low	0	0	stilbenol	plant metabolite; xenobiotic metabolite
glycitin	[no description available]	low	0	0	7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; methoxyisoflavone; monosaccharide derivative	plant metabolite
benzyl d-glucopyranoside	[no description available]	low	0	0	benzenes; beta-D-glucoside	plant metabolite
chrysosplenol c	[no description available]	low	0	0	trihydroxyflavone; trimethoxyflavone	antineoplastic agent; antiviral agent; plant metabolite
5-o-methyllicoricidin	[no description available]	low	0	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	antibacterial agent; plant metabolite
(-)-gallocatechin gallate	[no description available]	low	0	0	catechin; gallate ester; polyphenol	antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human xenobiotic metabolite; plant metabolite
pronuciferine	[no description available]	low	0	0	aromatic ether; cyclic ketone; isoquinoline alkaloid; isoquinolines; organic heterotetracyclic compound	plant metabolite
sandaracopimaric acid	[no description available]	low	0	0	monocarboxylic acid; pimarane diterpenoid; tricyclic diterpenoid	plant metabolite
erythritol	[no description available]	low	0	0	butane-1,2,3,4-tetrol	antioxidant; human metabolite; plant metabolite
stigmastanol	[no description available]	low	0	0	3-hydroxy steroid; phytosterols	anticholesteremic drug; plant metabolite
vincaleukoblastine	[no description available]	low	0	0	acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite
3-octanone	[no description available]	low	0	0	dialkyl ketone	antifeedant; biomarker; fungal metabolite; human urinary metabolite; insect attractant; plant metabolite; toxin
lanosterol	[no description available]	low	0	0	14alpha-methyl steroid; 3beta-sterol; tetracyclic triterpenoid	bacterial metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
lupeol	[no description available]	low	0	0	pentacyclic triterpenoid; secondary alcohol	anti-inflammatory drug; plant metabolite
noscapine	[no description available]	low	0	0	aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound	antineoplastic agent; antitussive; apoptosis inducer; plant metabolite
aromaticin	[no description available]	low	0	0	cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	anti-inflammatory agent; metabolite; plant metabolite
methyl 3,4-dihydroxybenzoate	[no description available]	low	0	0	catechols; methyl ester	antioxidant; neuroprotective agent; plant metabolite
2-hydroxy-1,4-benzoxazin-3-one	[no description available]	low	0	0	benzoxazine; lactam; lactol	allelochemical; plant metabolite
menthofuran	[no description available]	low	0	0	1-benzofurans; monoterpenoid	nematicide; plant metabolite
lariciresinol	[no description available]	low	0	0	aromatic ether; lignan; oxolanes; phenols; primary alcohol	antifungal agent; plant metabolite
medicarpin	[no description available]	low	0	0	medicarpin	plant metabolite
anthricin	[no description available]	low	0	0	furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes	antineoplastic agent; apoptosis inducer; plant metabolite
indole-3-acetonitrile	[no description available]	low	0	0	indoles; nitrile	auxin; human xenobiotic metabolite; plant hormone; plant metabolite
taiwanin c	[no description available]	low	0	0	benzodioxoles; furonaphthodioxole; lignan	antineoplastic agent; plant metabolite; platelet aggregation inhibitor
sampangine	[no description available]	low	0	0	alkaloid; organic heterotetracyclic compound	antifungal agent; plant metabolite
isochamaejasmin	[no description available]	low	0	0	biflavonoid; hydroxyflavone	plant metabolite
norbelladine	[no description available]	low	0	0	catechols; phenethylamine alkaloid; polyphenol; secondary amino compound	plant metabolite
raffinose	[no description available]	low	0	0	raffinose family oligosaccharide; trisaccharide	mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
scopolin	[no description available]	low	0	0	beta-D-glucoside; coumarins; monosaccharide derivative	plant metabolite
stachyose	[no description available]	low	0	0	raffinose family oligosaccharide; tetrasaccharide	mouse metabolite; plant metabolite
isomaltulose	[no description available]	low	0	0	glycosylfructose	animal metabolite; plant metabolite; sweetening agent
discretamine	[no description available]	low	0	0	berberine alkaloid; organic heterotetracyclic compound	EC 5.99.1.2 (DNA topoisomerase) inhibitor; plant metabolite
pelargonidin	[no description available]	low	0	0	5-hydroxyanthocyanidin	plant metabolite
(+)-limonene	[no description available]	low	0	0	limonene	plant metabolite
hygrine	[no description available]	low	0	0	1-(1-methylpyrrolidin-2-yl)acetone; pyrrolidine alkaloid	plant metabolite
canaline	[no description available]	low	0	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite
sophoranone	[no description available]	low	0	0	4'-hydroxyflavanones; dihydroxyflavanone	plant metabolite
petunidin	[no description available]	low	0	0	5-hydroxyanthocyanidin	plant metabolite
glaucarubinone	[no description available]	low	0	0	carboxylic ester; organic heteropentacyclic compound; quassinoid; secondary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone; tetrol	antimalarial; antineoplastic agent; geroprotector; plant metabolite
helveticoside	[no description available]	low	0	0	14beta-hydroxy steroid; 5beta-hydroxy steroid; cardenolide glycoside; digitoxoside; monosaccharide derivative; steroid aldehyde; steroid lactone	antineoplastic agent; apoptosis inducer; plant metabolite
ginsenoside re	[no description available]	low	0	0	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; nephroprotective agent; neuroprotective agent; plant metabolite
ginsenoside rf	[no description available]	low	0	0	12beta-hydroxy steroid; 20-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	antineoplastic agent; apoptosis inducer; plant metabolite
3-o-(alpha-l-arabinopyranosyl)hederagenin	[no description available]	low	0	0	alpha-L-arabinopyranoside; hydroxy monocarboxylic acid; monosaccharide derivative; pentacyclic triterpenoid; triterpenoid saponin	plant metabolite
notoginsenoside r1	[no description available]	low	0	0	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	antioxidant; apoptosis inducer; neuroprotective agent; phytoestrogen; plant metabolite
2-(2-phenylethyl)chromone	[no description available]	low	0	0	benzenes; chromones	plant metabolite
ferruginol	[no description available]	low	0	0	abietane diterpenoid; carbotricyclic compound; meroterpenoid; phenols	antibacterial agent; antineoplastic agent; plant metabolite; protective agent
stevioside	[no description available]	low	0	0	beta-D-glucoside; bridged compound; diterpene glycoside; ent-kaurane diterpenoid; tetracyclic diterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; hypoglycemic agent; plant metabolite; sweetening agent
lenticin	[no description available]	low	0	0	amino-acid betaine; indole alkaloid; L-tryptophan derivative	fungal metabolite; plant metabolite; xenobiotic
absynthin	[no description available]	low	0	0	organic heteroheptacyclic compound; sesquiterpene lactone; triterpenoid	anti-inflammatory agent; plant metabolite
abyssinone i	[no description available]	low	0	0	monohydroxyflavanone; phenols	apoptosis inhibitor; plant metabolite
afzelechin	[no description available]	low	0	0	catechin; tetrahydroxyflavan	EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite
asebogenin	[no description available]	low	0	0	dihydrochalcones	plant metabolite
lactucin	[no description available]	low	0	0	azulenofuran; cyclic terpene ketone; enone; primary alcohol; secondary alcohol; sesquiterpene lactone	antimalarial; plant metabolite; sedative
solavetivone	[no description available]	low	0	0	cyclic ketone; sesquiterpenoid; spiro compound	phytoalexin; plant metabolite
thujopsene	[no description available]	low	0	0	thujopsene	plant metabolite
agnuside	[no description available]	low	0	0	benzoate ester; beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monosaccharide derivative; phenols; terpene glycoside	anti-inflammatory agent; cyclooxygenase 2 inhibitor; plant metabolite; pro-angiogenic agent
dolichodial	[no description available]	low	0	0	dialdehyde; iridoid monoterpenoid; olefinic compound	animal metabolite; plant metabolite; volatile oil component
theasinensin a	[no description available]	low	0	0	biflavonoid; gallate ester; proanthocyanidin	anti-inflammatory agent; anticoronaviral agent; apoptosis inducer; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; hypoglycemic agent; melanin synthesis inhibitor; plant metabolite
5,6,7-trimethoxyflavone	[no description available]	low	0	0	trimethoxyflavone	anti-HSV-1 agent; plant metabolite
ammodendrine	[no description available]	low	0	0	acetamides; N-acylpiperidine; piperidine alkaloid	plant metabolite; teratogenic agent
carpaine	[no description available]	low	0	0	alkaloid; macrodiolide	cardiovascular drug; plant metabolite
myosmine	[no description available]	low	0	0	pyridine alkaloid; pyrroline	EC 1.14.14.14 (aromatase) inhibitor; mutagen; plant metabolite
dihydropinosylvin	[no description available]	low	0	0	diphenylethane; resorcinols	EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite
mucronulatol	[no description available]	low	0	0	hydroxyisoflavans; methoxyisoflavan	antineoplastic agent; plant metabolite
ononin	[no description available]	low	0	0	4'-methoxyisoflavones; 7-hydroxyisoflavones 7-O-beta-D-glucoside; monosaccharide derivative	plant metabolite
yatein	[no description available]	low	0	0	benzodioxoles; butan-4-olide; lignan; methoxybenzenes	plant metabolite
solasodine	[no description available]	low	0	0	alkaloid antibiotic; azaspiro compound; hemiaminal ether; oxaspiro compound; sapogenin; steroid alkaloid	anticonvulsant; antifungal agent; antiinfective agent; antioxidant; antipyretic; antispermatogenic agent; apoptosis inducer; cardiotonic drug; central nervous system depressant; diuretic; immunomodulator; plant metabolite; teratogenic agent
1-alpha-terpineol	[no description available]	low	0	0	alpha-terpineol	plant metabolite
7-deoxyloganic acid	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monosaccharide derivative; monoterpene glycoside	plant metabolite
epiafzelechin	[no description available]	low	0	0	catechin	plant metabolite
maleic acid	[no description available]	low	0	0	butenedioic acid	algal metabolite; mouse metabolite; plant metabolite
e-z cinnamic acid	[no description available]	low	0	0	cinnamic acid	plant metabolite
farnesol	[no description available]	low	0	0	farnesol	plant metabolite
lycopene	[no description available]	low	0	0	acyclic carotene	antioxidant; plant metabolite
benzoylecgonine	[no description available]	low	0	0	benzoate ester; tropane alkaloid	epitope; human xenobiotic metabolite; marine xenobiotic metabolite; plant metabolite
zeatin	[no description available]	low	0	0	zeatin	plant metabolite
gamma-sitosterol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols	marine metabolite; plant metabolite
costatolide	[no description available]	low	0	0	cyclic ether; delta-lactone; organic heterotetracyclic compound; secondary alcohol	HIV-1 reverse transcriptase inhibitor; plant metabolite
euscaphic acid	[no description available]	low	0	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid; triol	plant metabolite
cinnamtannin b-1	[no description available]	low	0	0	proanthocyanidin	cyclooxygenase 2 inhibitor; plant metabolite
meso-dihydroguaiaretic acid	[no description available]	low	0	0	guaiacols; lignan	plant metabolite
8-prenylnaringenin	[no description available]	low	0	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone	plant metabolite; platelet aggregation inhibitor
gancaonin I	[no description available]	low	0	0	1-benzofurans; aromatic ether; resorcinols	antibacterial agent; plant metabolite
6,8-diprenylgenistein	[no description available]	low	0	0	7-hydroxyisoflavones	antibacterial agent; plant metabolite
glycyrin	[no description available]	low	0	0	aromatic ether; coumarins; hydroxyisoflavans	antibacterial agent; metabolite; plant metabolite
glyasperin D	[no description available]	low	0	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	plant metabolite
licoricidin	[no description available]	low	0	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	antibacterial agent; plant metabolite
pallidol	[no description available]	low	0	0	carbopolycyclic compound; polyphenol; stilbenoid	antifungal agent; antioxidant; plant metabolite
egonol	[no description available]	low	0	0	1-benzofurans; aromatic ether; benzodioxoles; primary alcohol	plant metabolite
23-hydroxytormentic acid	[no description available]	low	0	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid; tetrol	anti-inflammatory agent; plant metabolite
licocoumarone	[no description available]	low	0	0	1-benzofurans; aromatic ether; resorcinols	antibacterial agent; apoptosis inducer; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
likviriton	[no description available]	low	0	0	beta-D-glucoside; flavanone glycoside; monohydroxyflavanone; monosaccharide derivative	anti-inflammatory agent; anticoronaviral agent; plant metabolite
sodium benzoate	[no description available]	low	0	0	organic sodium salt	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
3-mercaptohexanol	[no description available]	low	0	0	alkanethiol; primary alcohol	flavouring agent; plant metabolite; Saccharomyces cerevisiae metabolite
3'-methoxyflavone	[no description available]	low	0	0	3'-methoxyflavones	plant metabolite
piperlactam s	[no description available]	low	0	0	alkaloid; aromatic ether; gamma-lactam; organic heterotetracyclic compound; phenols	anti-inflammatory agent; antioxidant; plant metabolite
piperyline	[no description available]	low	0	0	benzodioxoles; N-acylpyrrolidine; pyrrolidine alkaloid; tertiary carboxamide	antifungal agent; apoptosis inducer; plant metabolite
crotonic acid	[no description available]	low	0	0	2-butenoic acid	plant metabolite
methyl cinnamate	[no description available]	low	0	0	methyl cinnamate	antibacterial agent; fungal metabolite; nematicide; plant metabolite
2,4-hexadienal	[no description available]	low	0	0	hexadienal; polyunsaturated fatty aldehyde; volatile organic compound	flavouring agent; plant metabolite
geraniol	[no description available]	low	0	0	3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol	allergen; fragrance; plant metabolite; volatile oil component
epipinoresinol	[no description available]	low	0	0	pinoresinol	marine metabolite; plant metabolite
sinapinic acid	[no description available]	low	0	0	sinapic acid	MALDI matrix material; plant metabolite
citral	[no description available]	low	0	0	enal; monoterpenoid; polyprenal	plant metabolite; volatile oil component
squalene	[no description available]	low	0	0	triterpene	human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
coumestan	[no description available]	low	0	0	coumestans; delta-lactone	phytoestrogen; plant metabolite
antofine	[no description available]	low	0	0	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	angiogenesis inhibitor; anti-inflammatory agent; antimicrobial agent; antineoplastic agent; antiviral agent; phytotoxin; plant metabolite
p-hydroxycinnamaldehyde	[no description available]	low	0	0	cinnamaldehydes	apoptosis inducer; EC 1.14.13.39 (nitric oxide synthase) inhibitor; plant metabolite
n-methylproline	[no description available]	low	0	0	L-alpha-amino acid zwitterion; L-proline derivative; tertiary amino compound	human metabolite; plant metabolite
vedelianin	[no description available]	low	0	0	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	antineoplastic agent; plant metabolite
pedilstatin	[no description available]	low	0	0	acetate ester; phorbol ester; primary allylic alcohol	plant metabolite
nerol	[no description available]	low	0	0	3,7-dimethylocta-2,6-dien-1-ol	fragrance; plant metabolite; volatile oil component
cannabidiol	[no description available]	low	0	0	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite
dehydrovomifoliol	[no description available]	low	0	0	dehydrovomifoliol	plant metabolite
isoeugenol	[no description available]	low	0	0	isoeugenol	plant metabolite
huperzine a	[no description available]	low	0	0	organic heterotricyclic compound; primary amino compound; pyridone; sesquiterpene alkaloid	EC 3.1.1.7 (acetylcholinesterase) inhibitor; neuroprotective agent; nootropic agent; plant metabolite
nootkatone	[no description available]	low	0	0	carbobicyclic compound; enone; sesquiterpenoid	fragrance; insect repellent; plant metabolite
geranyl acetate	[no description available]	low	0	0	acetate ester; monoterpenoid	plant metabolite
coniferyl alcohol	[no description available]	low	0	0	guaiacols; phenylpropanoid	animal metabolite; monolignol; mouse metabolite; pheromone; plant metabolite; volatile oil component
geranylacetone	[no description available]	low	0	0	monoterpene ketone	flavouring agent; fragrance; plant metabolite; volatile oil component
goitrin	[no description available]	low	0	0	5-ethenyl-1,3-oxazolidine-2-thione	antiviral agent; plant metabolite
7-deacetylgedunin	[no description available]	low	0	0	cyclic terpene ketone; delta-lactone; enone; epoxide; furans; limonoid; pentacyclic triterpenoid	anti-inflammatory agent; antimalarial; metabolite; plant metabolite
manool	[no description available]	low	0	0	labdane diterpenoid; tertiary alcohol	antibacterial agent; antineoplastic agent; plant metabolite
2-oxindole-3-acetic acid	[no description available]	low	0	0	indole-3-acetic acids; monocarboxylic acid; oxindoles	plant metabolite
bigelovin	[no description available]	low	0	0	acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	antineoplastic agent; apoptosis inducer; immunomodulator; plant metabolite
cyclanoline	[no description available]	low	0	0	berberine alkaloid; quaternary ammonium ion	EC 3.1.1.7 (acetylcholinesterase) inhibitor; plant metabolite
sideroxylin	[no description available]	low	0	0	dihydroxyflavone; monomethoxyflavone	plant metabolite
ladanein	[no description available]	low	0	0	dihydroxyflavone; dimethoxyflavone	antiviral agent; plant metabolite; radical scavenger
t-muurolol	[no description available]	low	0	0	cadinane sesquiterpenoid; carbobicyclic compound; octahydronaphthalenes; tertiary alcohol	bacterial metabolite; fungicide; marine metabolite; plant metabolite; volatile oil component
alpha-carotene	[no description available]	low	0	0	carotenoid beta-end derivative; cyclic carotene	plant metabolite; provitamin A
citramalate	[no description available]	low	0	0	dicarboxylic acid dianion	human metabolite; plant metabolite
fraxin	[no description available]	low	0	0	aromatic ether; beta-D-glucoside; hydroxycoumarin	anti-inflammatory agent; hepatoprotective agent; plant metabolite
decaprenoic acid	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; methyl-branched fatty acid; monoterpenoid; polyunsaturated fatty acid	antifungal agent; EC 1.14.18.1 (tyrosinase) inhibitor; melanin synthesis inhibitor; pheromone; plant metabolite
gallocatechin-3-gallate	[no description available]	low	0	0	catechin; gallate ester; polyphenol	plant metabolite
coniferin	[no description available]	low	0	0	aromatic ether; cinnamyl alcohol beta-D-glucoside; monosaccharide derivative	plant metabolite
gibberellin a1	[no description available]	low	0	0	C19-gibberellin; gibberellin monocarboxylic acid; lactone	plant metabolite
leukotriene a4	[no description available]	low	0	0	epoxy fatty acid; leukotriene; long-chain fatty acid; oxylipin; polyunsaturated fatty acid	human metabolite; mouse metabolite; plant metabolite
sinapine	[no description available]	low	0	0	acylcholine	antioxidant; photosynthetic electron-transport chain inhibitor; plant metabolite
trans-phytol	[no description available]	low	0	0	diterpenoid; long-chain primary fatty alcohol	algal metabolite; plant metabolite; schistosomicide drug
linoleic acid	[no description available]	low	0	0	octadecadienoic acid; omega-6 fatty acid	algal metabolite; Daphnia galeata metabolite; plant metabolite
beta carotene	[no description available]	low	0	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
leukotriene b4	[no description available]	low	0	0	dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid	human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent
coniferaldehyde	[no description available]	low	0	0	cinnamaldehydes; guaiacols; phenylpropanoid	antifungal agent; plant metabolite
herbacetin	[no description available]	low	0	0	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antilipemic drug; antineoplastic agent; apoptosis inducer; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; plant metabolite
5'-o-caffeoylquinic acid	[no description available]	low	0	0	cinnamate ester; cyclitol carboxylic acid	plant metabolite
luteolin-7-glucoside	[no description available]	low	0	0	beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antioxidant; plant metabolite
gossypetin	[no description available]	low	0	0	7-hydroxyflavonol; hexahydroxyflavone	plant metabolite
ayanin	[no description available]	low	0	0	dihydroxyflavone; trimethoxyflavone	plant metabolite
apiin	[no description available]	low	0	0	beta-D-glucoside; dihydroxyflavone; glycosyloxyflavone	EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; plant metabolite
(all-e) phytoene	[no description available]	low	0	0	phytoene	plant metabolite
vitamin d 2	[no description available]	low	0	0	hydroxy seco-steroid; seco-ergostane; vitamin D	bone density conservation agent; nutraceutical; plant metabolite; rodenticide
stigmasterol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols; stigmastane sterol	plant metabolite
sinapaldehyde	[no description available]	low	0	0	cinnamaldehydes; dimethoxybenzene; phenols	antifungal agent; plant metabolite
3-methylkaempferol	[no description available]	low	0	0	monomethoxyflavone; trihydroxyflavone	plant metabolite
abscisic acid	[no description available]	low	0	0	2-cis-abscisic acid	plant hormone; plant metabolite
gamma-linolenic acid	[no description available]	low	0	0	linolenic acid; omega-6 fatty acid	human metabolite; mouse metabolite; plant metabolite
petroselinic acid	[no description available]	low	0	0	octadec-6-enoic acid	plant metabolite
cyclobenzaprine	[no description available]	low	0	0	9,11,13-octadecatrienoic acid	antineoplastic agent; plant metabolite
jasmonic acid	[no description available]	low	0	0	oxo monocarboxylic acid	jasmonates; plant metabolite
2-hexenal, z-isomer	[no description available]	low	0	0	2-hexenal	antibacterial agent; flavouring agent; plant metabolite
aureusidin	[no description available]	low	0	0	hydroxyaurone	plant metabolite
antheraxanthin	[no description available]	low	0	0	epoxycarotenol	biological pigment; marine metabolite; plant metabolite
capsanthin	[no description available]	low	0	0	carotenone	plant metabolite
gardenia yellow	[no description available]	low	0	0	diester; disaccharide derivative; diterpenoid	antioxidant; food colouring; histological dye; plant metabolite
cryptoxanthins	[no description available]	low	0	0	carotenol	antioxidant; biomarker; plant metabolite; provitamin A
lutein	[no description available]	low	0	0	carotenol	food colouring; plant metabolite
hispidol	[no description available]	low	0	0	hydroxyaurone	plant metabolite
isobutrin	[no description available]	low	0	0	beta-D-glucoside; chalcones; monosaccharide derivative; phenols	anti-inflammatory agent; hepatoprotective agent; plant metabolite
cassaine	[no description available]	low	0	0	enoate ester; organic hydroxy compound; tertiary amino compound; tricyclic diterpenoid	antihypertensive agent; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; local anaesthetic; plant metabolite; poison
okanin	[no description available]	low	0	0	benzenetriol; chalcones	plant metabolite
cucurbitacin i	[no description available]	low	0	0	cucurbitacin; tertiary alpha-hydroxy ketone	antineoplastic agent; plant metabolite
brassicasterol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	algal metabolite; animal metabolite; biomarker; EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor; human metabolite; marine metabolite; plant metabolite; sterol biosynthesis inhibitor
esculetin	[no description available]	low	0	0	hydroxycoumarin	antioxidant; plant metabolite; ultraviolet filter
eupatolide	[no description available]	low	0	0	gamma-lactone; germacranolide; homoallylic alcohol; secondary alcohol	antineoplastic agent; plant metabolite
oleuropein	[no description available]	low	0	0	beta-D-glucoside; catechols; diester; methyl ester; pyrans; secoiridoid glycoside	anti-inflammatory agent; antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; NF-kappaB inhibitor; nutraceutical; plant metabolite; radical scavenger
amentoflavone	[no description available]	low	0	0	biflavonoid; hydroxyflavone; ring assembly	angiogenesis inhibitor; antiviral agent; cathepsin B inhibitor; P450 inhibitor; plant metabolite
apigenin dimethylether	[no description available]	low	0	0	dimethoxyflavone; monohydroxyflavone	plant metabolite
axillarin	[no description available]	low	0	0	dimethoxyflavone; tetrahydroxyflavone	plant metabolite
azaleatin	[no description available]	low	0	0	7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone	plant metabolite
chrysosplenetin b	[no description available]	low	0	0	dihydroxyflavone; tetramethoxyflavone	antiviral agent; plant metabolite
gossypin	[no description available]	low	0	0	7-hydroxyflavonol; glycosyloxyflavone; monosaccharide derivative; pentahydroxyflavone	neuroprotective agent; plant metabolite
hispidulin	[no description available]	low	0	0	monomethoxyflavone; trihydroxyflavone	anti-inflammatory agent; anticonvulsant; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite
euxanthone	[no description available]	low	0	0	phenols; xanthones	metabolite; plant metabolite
gartanin	[no description available]	low	0	0	polyphenol; xanthones	antineoplastic agent; plant metabolite
gentiacaulein	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	plant metabolite
gentisein	[no description available]	low	0	0	polyphenol; xanthones	plant metabolite
gentisin	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	plant metabolite
isogentisin	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
hyperoside	[no description available]	low	0	0	beta-D-galactoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	hepatoprotective agent; plant metabolite
mangiferin	[no description available]	low	0	0	C-glycosyl compound; xanthones	anti-inflammatory agent; antioxidant; hypoglycemic agent; plant metabolite
mangostin	[no description available]	low	0	0	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite
1,8-dihydroxy-3,7-dimethoxyxanthone	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	plant metabolite
norathyriol	[no description available]	low	0	0	polyphenol; xanthones	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor; plant metabolite
1,2,8-trihydroxy-6-methoxyxanthone	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	antioxidant; plant metabolite
kuwanon g	[no description available]	low	0	0	resorcinols; tetrahydroxyflavone	anti-inflammatory agent; plant metabolite
kuwanon h	[no description available]	low	0	0	resorcinols; tetrahydroxyflavone	plant metabolite
morusin	[no description available]	low	0	0	extended flavonoid; trihydroxyflavone	antineoplastic agent; plant metabolite
myricitrin	[no description available]	low	0	0	alpha-L-rhamnoside; glycosyloxyflavone; monosaccharide derivative; pentahydroxyflavone	anti-allergic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; plant metabolite
pachypodol	[no description available]	low	0	0	dihydroxyflavone; trimethoxyflavone	antiemetic; plant metabolite
quercetagetin	[no description available]	low	0	0	flavonols; hexahydroxyflavone	antioxidant; antiviral agent; plant metabolite
robinin	[no description available]	low	0	0	dihydroxyflavone; glycosyloxyflavone	plant metabolite
santin	[no description available]	low	0	0	dihydroxyflavone; trimethoxyflavone	plant metabolite
7-hydroxy-6,4'-dimethoxyisoflavone	[no description available]	low	0	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	plant metabolite
pterostilbene	[no description available]	low	0	0	diether; methoxybenzenes; stilbenol	anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; neuroprotective agent; neurotransmitter; plant metabolite; radical scavenger
genistein-8-c-glucoside	[no description available]	low	0	0	7-hydroxyisoflavones; C-glycosyl compound	plant metabolite
5-o-caffeoylshikimic acid	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; carboxylic ester; catechols; cyclohexenecarboxylic acid	plant metabolite
cynarine	[no description available]	low	0	0	alkyl caffeate ester; quinic acid	plant metabolite
iridin	[no description available]	low	0	0	4'-methoxyisoflavones; 7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative	plant metabolite
orobol	[no description available]	low	0	0	7-hydroxyisoflavones	anti-inflammatory agent; fungal metabolite; plant metabolite; radical scavenger
psi-baptigenin	[no description available]	low	0	0	7-hydroxyisoflavones; benzodioxoles	antiprotozoal drug; plant metabolite
psoralidin	[no description available]	low	0	0	coumestans; delta-lactone; polyphenol	estrogen receptor agonist; plant metabolite
puerarin	[no description available]	low	0	0	C-glycosyl compound; hydroxyisoflavone	plant metabolite
tectoridin	[no description available]	low	0	0	7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; methoxyisoflavone; monosaccharide derivative	plant metabolite
tectorigenin	[no description available]	low	0	0	7-hydroxyisoflavones; methoxyisoflavone	anti-inflammatory agent; plant metabolite
wighteone	[no description available]	low	0	0	7-hydroxyisoflavones	antifungal agent; plant metabolite
maytansine	[no description available]	low	0	0	alpha-amino acid ester; carbamate ester; epoxide; maytansinoid; organic heterotetracyclic compound; organochlorine compound	antimicrobial agent; antimitotic; antineoplastic agent; plant metabolite; tubulin modulator
savinin	[no description available]	low	0	0	benzodioxoles; gamma-lactone; lignan	anti-inflammatory agent; anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; plant metabolite; T-cell proliferation inhibitor
tectochrysin	[no description available]	low	0	0	monohydroxyflavone; monomethoxyflavone	antidiarrhoeal drug; antineoplastic agent; plant metabolite
2'-hydroxygenistein	[no description available]	low	0	0	hydroxyisoflavone	plant metabolite
astragalin	[no description available]	low	0	0	beta-D-glucoside; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone	plant metabolite; trypanocidal drug
cinnamyl acetate	[no description available]	low	0	0	acetate ester	plant metabolite
kaempferol-3-o-galactoside	[no description available]	low	0	0	beta-D-galactoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antifungal agent; plant metabolite
kaempferol 3-o-sophoroside	[no description available]	low	0	0	sophoroside; trihydroxyflavone	plant metabolite
quercetin-3-o-sophoroside	[no description available]	low	0	0	sophoroside; tetrahydroxyflavone	antioxidant; plant metabolite
ethyl linoleate	[no description available]	low	0	0	long-chain fatty acid ethyl ester	anti-inflammatory agent; plant metabolite
plaunotol	[no description available]	low	0	0	diterpenoid; primary alcohol	anti-ulcer drug; antibacterial agent; antineoplastic agent; apoptosis inducer; nephroprotective agent; plant metabolite; vulnerary
sofalcone	[no description available]	low	0	0	aromatic ether; chalcones; monocarboxylic acid	anti-ulcer drug; antibacterial agent; gastrointestinal drug; plant metabolite
xanthoxin	[no description available]	low	0	0	apo carotenoid sesquiterpenoid; enal	plant growth retardant; plant metabolite
tocotrienol, alpha	[no description available]	low	0	0	tocotrienol; vitamin E	ferroptosis inhibitor; human metabolite; neuroprotective agent; plant metabolite
tocotrienol, beta	[no description available]	low	0	0	tocotrienol; vitamin E	antineoplastic agent; apoptosis inducer; plant metabolite
gamma-tocotrienol	[no description available]	low	0	0	tocotrienol; vitamin E	antineoplastic agent; antioxidant; apoptosis inducer; hepatoprotective agent; plant metabolite; radiation protective agent
tocotrienol, delta	[no description available]	low	0	0	tocotrienol; vitamin E	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bone density conservation agent; NF-kappaB inhibitor; plant metabolite; radiation protective agent; Saccharomyces cerevisiae metabolite
4-hydroxychalcone	[no description available]	low	0	0	chalcones; phenols	antihypertensive agent; plant metabolite
9-hydroxy-10,12-octadecadienoic acid	[no description available]	low	0	0	HODE; octadecadienoic acid	human metabolite; metabolite; mouse metabolite; plant metabolite
2-heptenal	[no description available]	low	0	0	enal; medium-chain fatty aldehyde; monounsaturated fatty aldehyde	plant metabolite; uremic toxin
2-nonenal, (trans)-isomer	[no description available]	low	0	0	enal; medium-chain fatty aldehyde; monounsaturated fatty aldehyde	plant metabolite
oleylamide	[no description available]	low	0	0	primary fatty amide	human metabolite; plant metabolite
1-monooleoyl-rac-glycerol	[no description available]	low	0	0	1-acylglycerol 18:1; monooleoylglycerol	plant metabolite
monolinolein	[no description available]	low	0	0	1-acylglycerol 18:2; rac-1-monoacylglycerol	antiviral agent; human metabolite; plant metabolite
methyl linoleate	[no description available]	low	0	0	fatty acid methyl ester	plant metabolite
vitamin k 1	[no description available]	low	0	0	phylloquinones; vitamin K	cofactor; human metabolite; plant metabolite
delta(3)-hexadecenoic acid	[no description available]	low	0	0	hexadecenoic acid	plant metabolite
stearidonic acid	[no description available]	low	0	0	long-chain fatty acid; octadecatetraenoic acid; omega-3 fatty acid	Daphnia galeata metabolite; mouse metabolite; plant metabolite
juniperonic acid	[no description available]	low	0	0	icosatetraenoic acid	plant metabolite
casticin	[no description available]	low	0	0	dihydroxyflavone; tetramethoxyflavone	apoptosis inducer; plant metabolite
rosmarinic acid	[no description available]	low	0	0	carboxylic ester; monocarboxylic acid; phenylpropanoid; polyphenol	antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite; serine proteinase inhibitor
cannabigerol	[no description available]	low	0	0	phytocannabinoid; resorcinols	anti-inflammatory agent; antibacterial agent; antioxidant; appetite enhancer; cannabinoid receptor agonist; neuroprotective agent; plant metabolite
centaureidin	[no description available]	low	0	0	trihydroxyflavone; trimethoxyflavone	antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; plant metabolite
cinnamyl alcohol	[no description available]	low	0	0	cinnamyl alcohol	plant metabolite
7-demethylsuberosin	[no description available]	low	0	0	hydroxycoumarin	plant metabolite
kaempferol 3-o-rhamnoside	[no description available]	low	0	0	glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	anti-inflammatory agent; antibacterial agent; plant metabolite
syringin	[no description available]	low	0	0	beta-D-glucoside; dimethoxybenzene; monosaccharide derivative; primary alcohol	hepatoprotective agent; plant metabolite
3,3'-di-o-methylquercetin	[no description available]	low	0	0	3'-methoxyflavones; dimethoxyflavone; trihydroxyflavone	antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite
glycitein	[no description available]	low	0	0	7-hydroxyisoflavone; methoxyisoflavone	fungal metabolite; phytoestrogen; plant metabolite
glycycoumarin	[no description available]	low	0	0	aromatic ether; coumarins; resorcinols	antispasmodic drug; plant metabolite
quadrangularin a	[no description available]	low	0	0	indanes; polyphenol; stilbenoid	antioxidant; plant metabolite
isoginkgetin	[no description available]	low	0	0	aromatic ether; biflavonoid	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; plant metabolite
isomangiferin	[no description available]	low	0	0	C-glycosyl compound; polyphenol; xanthones	anti-HSV-1 agent; plant metabolite
isosalipurposide	[no description available]	low	0	0	beta-D-glucoside; chalcones; monosaccharide derivative; resorcinols	antioxidant; plant metabolite
kaempferol-3-o-rutinoside	[no description available]	low	0	0	disaccharide derivative; kaempferol O-glucoside; rutinoside; trihydroxyflavone	metabolite; plant metabolite; radical scavenger
luteolin 4'-o-glucoside	[no description available]	low	0	0	beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	plant metabolite
methyl linolenate	[no description available]	low	0	0	fatty acid methyl ester	insect attractant; plant metabolite
3'-o-methylorobol	[no description available]	low	0	0	hydroxyisoflavone; methoxyisoflavone	plant metabolite
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone	[no description available]	low	0	0	trihydroxyanthraquinone	plant metabolite
cudraflavone c	[no description available]	low	0	0	tetrahydroxyflavone	antibacterial agent; antineoplastic agent; plant metabolite
muromonab-cd3	[no description available]	low	0	0	extended flavonoid; pyranochromane; trihydroxyflavone	anti-inflammatory agent; plant metabolite
neobavaisoflavone	[no description available]	low	0	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; plant metabolite; platelet aggregation inhibitor
neoglycyrol	[no description available]	low	0	0	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; plant metabolite
beta-ocimene	[no description available]	low	0	0	beta-ocimene	plant metabolite
ombuine	[no description available]	low	0	0	dimethoxyflavone; flavonols; trihydroxyflavone	anti-inflammatory agent; plant metabolite
osthenol	[no description available]	low	0	0	hydroxycoumarin	antifungal agent; plant metabolite
5,7-dihydroxy-4',6-dimethoxyflavone	[no description available]	low	0	0	dihydroxyflavone; dimethoxyflavone	plant metabolite
tiliroside	[no description available]	low	0	0	cinnamate ester; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	plant metabolite
spiraeoside	[no description available]	low	0	0	beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antineoplastic agent; antioxidant; plant metabolite
rhamnazin	[no description available]	low	0	0	aromatic ether; dimethoxyflavone; phenols; trihydroxyflavone	antineoplastic agent; plant metabolite
kaempferol-7-methyl ether	[no description available]	low	0	0	flavonols; monomethoxyflavone; trihydroxyflavone	plant metabolite
oridonin	[no description available]	low	0	0	cyclic hemiketal; enone; ent-kaurane diterpenoid; organic heteropentacyclic compound; secondary alcohol	angiogenesis inhibitor; anti-asthmatic agent; antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite
7,8-dimethylalloxazine	[no description available]	low	0	0	7,8-dimethylbenzo[g]pteridine-2,4-dione	plant metabolite
ergothioneine	[no description available]	low	0	0	1,3-dihydroimidazole-2-thiones; amino-acid betaine; L-histidine derivative; sulfur-containing amino acid	antioxidant; chelator; fungal metabolite; plant metabolite; xenobiotic metabolite
ermanin	[no description available]	low	0	0	dihydroxyflavone; dimethoxyflavone	anti-inflammatory agent; antimycobacterial drug; antineoplastic agent; apoptosis inducer; plant metabolite
5-hydroxy-3,3',4',7-tetramethoxyflavone	[no description available]	low	0	0	3'-methoxyflavones; monohydroxyflavone; tetramethoxyflavone	plant metabolite
methyl 2,5-dihydroxycinnamate	[no description available]	low	0	0	cinnamate ester; hydroquinones; methyl ester	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; geroprotector; human urinary metabolite; plant metabolite
methyl ferulate	[no description available]	low	0	0	cinnamate ester; guaiacols; methyl ester	plant metabolite
lichexanthone	[no description available]	low	0	0	aromatic ether; phenols; xanthones	plant metabolite
glyceryl behenate	[no description available]	low	0	0	1-monoglyceride; fatty acid ester	antineoplastic agent; plant metabolite
ethyl oleate	[no description available]	low	0	0	long-chain fatty acid ethyl ester	acaricide; plant metabolite
2-pentenal	[no description available]	low	0	0	2-pentenal	plant metabolite
erucyl amide	[no description available]	low	0	0	13-docosenamide	EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite; mammalian metabolite; plant metabolite; rat metabolite
beta-damascenone	[no description available]	low	0	0	apo carotenoid monoterpenoid; cyclic monoterpene ketone; enone	fragrance; plant metabolite; volatile oil component
piperic acid	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; benzodioxoles	plant metabolite
pipercallosidine	[no description available]	low	0	0	alkaloid; benzodioxoles; enamide; secondary carboxamide	apoptosis inducer; metabolite; plant metabolite
dehydrodiconiferyl alcohol	[no description available]	low	0	0	1-benzofurans; guaiacols; guaiacyl lignin; primary alcohol	anti-inflammatory agent; plant metabolite
noreugenin	[no description available]	low	0	0	chromones; resorcinols	plant metabolite
decussatin	[no description available]	low	0	0	aromatic ether; phenols; xanthones	plant metabolite
beta-aminopropionitrile fumarate (2:1)	[no description available]	low	0	0	fumarate salt	antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite
gamma-mangostin	[no description available]	low	0	0	phenols; xanthones	antineoplastic agent; plant metabolite; protein kinase inhibitor
irigenin	[no description available]	low	0	0	4'-methoxyisoflavones; hydroxyisoflavone	plant metabolite
5,4'-dihydroxy-7,3'-dimethoxyflavone	[no description available]	low	0	0	dihydroxyflavone; dimethoxyflavone	anti-allergic agent; anti-inflammatory agent; antibacterial agent; antioxidant; melanin synthesis inhibitor; plant metabolite
1,7-dihydroxy-4-methoxyxanthone	[no description available]	low	0	0	aromatic ether; phenols; xanthones	metabolite; plant metabolite
tetrahydroxycurcumin	[no description available]	low	0	0	beta-diketone; catechols; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; neuroprotective agent; plant metabolite
semilicoisoflavone b	[no description available]	low	0	0	7-hydroxyisoflavones	EC 1.1.1.21 (aldehyde reductase) inhibitor; plant metabolite
lespenefril	[no description available]	low	0	0	alpha-L-rhamnoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative; polyphenol	anti-inflammatory agent; antidepressant; antineoplastic agent; apoptosis inducer; bone density conservation agent; hypoglycemic agent; immunomodulator; plant metabolite
quercetin 3-sambubioside	[no description available]	low	0	0	disaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antioxidant; plant metabolite
baohuoside i	[no description available]	low	0	0	glycosyloxyflavone	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; plant metabolite
avicularin	[no description available]	low	0	0	alpha-L-arabinofuranoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	hepatoprotective agent; plant metabolite
ochnaflavone	[no description available]	low	0	0	aromatic ether; biflavonoid; hydroxyflavone	anti-inflammatory agent; antiatherogenic agent; antibacterial agent; EC 3.1.1.4 (phospholipase A2) inhibitor; leukotriene antagonist; plant metabolite
isowighteone	[no description available]	low	0	0	7-hydroxyisoflavones	plant metabolite
triolein	[no description available]	low	0	0	triglyceride	Caenorhabditis elegans metabolite; plant metabolite
resiniferatoxin	[no description available]	low	0	0	carboxylic ester; diterpenoid; enone; monomethoxybenzene; organic heteropentacyclic compound; ortho ester; phenols; tertiary alpha-hydroxy ketone	analgesic; neurotoxin; plant metabolite; TRPV1 agonist
lyoniside	[no description available]	low	0	0	beta-D-glucoside; monosaccharide derivative; steroid saponin	plant metabolite
4-hydroxycordoin	[no description available]	low	0	0	aromatic ether; chalcones; polyphenol	anti-inflammatory agent; antibacterial agent; plant metabolite
n-feruloylserotonin	[no description available]	low	0	0	aromatic ether; cinnamamides; hydroxyindoles; phenols; secondary carboxamide	plant metabolite
zosteric acid	[no description available]	low	0	0	aryl sulfate; cinnamic acids	antifouling biocide; plant metabolite
eupomatenoid 6	[no description available]	low	0	0	benzofurans; phenols	anti-inflammatory agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; NF-kappaB inhibitor; plant metabolite
amaranthin betacyanin	[no description available]	low	0	0	disaccharide derivative; indoles; olefinic compound; tetrahydropyridine	biological pigment; plant metabolite
mevalonolactone	[no description available]	low	0	0	4-hydroxy-4-methyloxan-2-one	fungal metabolite; plant metabolite
coronardine	[no description available]	low	0	0	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound	antileishmanial agent; antineoplastic agent; apoptosis inducer; plant metabolite
columbianadin	[no description available]	low	0	0	alpha,beta-unsaturated carboxylic ester; furanocoumarin	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; plant metabolite; rat metabolite
germacrone	[no description available]	low	0	0	germacrane sesquiterpenoid; olefinic compound	androgen antagonist; anti-inflammatory agent; antifeedant; antifungal agent; antimicrobial agent; antineoplastic agent; antioxidant; antitussive; antiviral agent; apoptosis inducer; autophagy inducer; hepatoprotective agent; insecticide; neuroprotective agent; plant metabolite; volatile oil component
salannin	[no description available]	low	0	0	acetate ester; furans; limonoid; methyl ester; organic heteropentacyclic compound	antifeedant; insect growth regulator; plant metabolite
thunberginol f	[no description available]	low	0	0	catechols; gamma-lactone; isobenzofuranone	metabolite; plant metabolite
9-hydroxy-10,12,15-octadecatrienoic acid	[no description available]	low	0	0	9-HOTrE	plant metabolite
valerenic acid	[no description available]	low	0	0	carbobicyclic compound; monocarboxylic acid; sesquiterpenoid	GABA modulator; plant metabolite; sedative; volatile oil component
zeatin riboside	[no description available]	low	0	0	9-ribosylzeatin; nucleoside analogue	cytokinin; plant metabolite
acuminatin	[no description available]	low	0	0	1-benzofurans; dimethoxybenzene; neolignan; olefinic compound; ring assembly	fungal metabolite; plant metabolite
cucurbitacin I 2-O-beta-D-glucopyranoside	[no description available]	low	0	0	beta-D-glucoside; cucurbitacin; monosaccharide derivative; tertiary alpha-hydroxy ketone; triterpenoid saponin	plant metabolite
perflubron	[no description available]	low	0	0	2-acyl-4-prenylphloroglucinol; chalcones	plant metabolite
tuberonic acid	[no description available]	low	0	0	cyclopentanones; homoallylic alcohol; oxo monocarboxylic acid; primary alcohol	jasmonates; plant metabolite
salvianolic acid B	[no description available]	low	0	0	1-benzofurans; catechols; dicarboxylic acid; enoate ester; polyphenol	anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; apoptosis inducer; autophagy inhibitor; cardioprotective agent; hepatoprotective agent; hypoglycemic agent; neuroprotective agent; osteogenesis regulator; plant metabolite
trilobatin	[no description available]	low	0	0	aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative	anti-inflammatory agent; antioxidant; plant metabolite; sweetening agent
2',4',6'-trihydroxychalcone	[no description available]	low	0	0	chalcones	antifungal agent; plant metabolite
nyasol	[no description available]	low	0	0	1,3-bis(p-hydroxyphenyl)pentane-1,4-diene	plant metabolite
ginsenoside rb2	[no description available]	low	0	0	12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	antiviral agent; hypoglycemic agent; plant metabolite
yunaconitine	[no description available]	low	0	0	acetate ester; aromatic ether; benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound	antifeedant; human urinary metabolite; phytotoxin; plant metabolite; xenobiotic
3-tyrosine	[no description available]	low	0	0	hydroxyphenylalanine; L-alpha-amino acid zwitterion; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; phenols	plant metabolite
3-O-feruloyl-D-quinic acid	[no description available]	low	0	0	enoate ester; quinic acid	plant metabolite
ginsenoside f1	[no description available]	low	0	0	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; 6alpha-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	apoptosis inhibitor; plant metabolite
capsiate	[no description available]	low	0	0	carboxylic ester; monomethoxybenzene; phenols	angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antioxidant; capsaicin receptor agonist; hypoglycemic agent; plant metabolite
p-coumaric acid glucoside	[no description available]	low	0	0	4-O-beta-D-glucosyl-4-coumaric acid	plant metabolite
ginsenoside m1	[no description available]	low	0	0	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; hepatoprotective agent; plant metabolite
nicotianamine	[no description available]	low	0	0	amino acid zwitterion; nicotianamine	chelator; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; plant metabolite
ginsenoside rb1	[no description available]	low	0	0	ginsenoside; glycoside; tetracyclic triterpenoid	anti-inflammatory drug; anti-obesity agent; apoptosis inhibitor; neuroprotective agent; plant metabolite; radical scavenger
6''-o-malonyldaidzin	[no description available]	low	0	0	glycosyloxyisoflavone; hydroxyisoflavone; malonate ester; monosaccharide derivative	plant metabolite
ginsenoside f2	[no description available]	low	0	0	12beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	antineoplastic agent; apoptosis inducer; plant metabolite
ginsenoside rg3	[no description available]	low	0	0	ginsenoside; glycoside; tetracyclic triterpenoid	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; plant metabolite
4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid	[no description available]	low	0	0	11-oxo steroid; 3-oxo steroid; 7-oxo steroid; ergostanoid; monocarboxylic acid; steroid acid	anti-inflammatory agent; antineoplastic agent; plant metabolite
hetacillin	[no description available]	low	0	0	guaiacols; lignan; oxolanes; polyphenol; tetrol	plant metabolite
kaempferol 7-o-glucoside	[no description available]	low	0	0	beta-D-glucoside; flavonols; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone	metabolite; plant metabolite; radical scavenger
3-epi-fagomine	[no description available]	low	0	0	amino monosaccharide; hydroxypiperidine; primary alcohol; secondary alcohol; secondary amino compound; triol	EC 3.2.1.10 (oligo-1,6-glucosidase) inhibitor; EC 3.2.1.23 (beta-galactosidase) inhibitor; plant metabolite
akuammicine	[no description available]	low	0	0	methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	plant metabolite
demethylzeylasteral	[no description available]	low	0	0	arenecarbaldehyde; benzenediols; carbopolycyclic compound; cyclic ketone; enone; oxo monocarboxylic acid	anti-inflammatory agent; EC 2.4.1.17 (glucuronosyltransferase) inhibitor; immunosuppressive agent; nephroprotective agent; plant metabolite
alpha-cadinol	[no description available]	low	0	0	cadinane sesquiterpenoid; carbobicyclic compound; octahydronaphthalenes; tertiary alcohol	fungicide; plant metabolite; volatile oil component
11-hydroxysugiol	[no description available]	low	0	0	abietane diterpenoid; carbotricyclic compound; catechols; cyclic terpene ketone; meroterpenoid	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite
triptohypol C	[no description available]	low	0	0	benzenediols; monocarboxylic acid; pentacyclic triterpenoid	apoptosis inducer; plant metabolite
trilobacin	[no description available]	low	0	0	butenolide; polyketide; triol	antineoplastic agent; plant metabolite
2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone	[no description available]	low	0	0	chalcones; monomethoxybenzene; resorcinols	EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; plant metabolite
1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one	[no description available]	low	0	0	diarylheptanoid; enone; phenols	plant metabolite
6-deacetylnimbin	[no description available]	low	0	0	cyclic terpene ketone; diester; enone; furans; limonoid; methyl ester; tetracyclic triterpenoid	antifeedant; insect growth regulator; plant metabolite
1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one	[no description available]	low	0	0	diarylheptanoid; enone; phenols	plant metabolite
2,3-dihydro-3beta-methoxy withaferin A	[no description available]	low	0	0	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide	metabolite; plant metabolite
azadirone	[no description available]	low	0	0	acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid	antineoplastic agent; antiplasmodial drug; plant metabolite
dihydroartemisinic acid	[no description available]	low	0	0	carbobicyclic compound; monocarboxylic acid; octahydronaphthalenes; sesquiterpenoid	plant metabolite
atractyligenine	[no description available]	low	0	0	carbotetracyclic compound; dihydroxy monocarboxylic acid; ent-kaurane diterpenoid; tetracyclic diterpenoid	plant metabolite
dihydrogenistin	[no description available]	low	0	0	beta-D-glucoside; hydroxyisoflavanone; monosaccharide derivative	plant metabolite
n-benzylhexadecanamide	[no description available]	low	0	0	macamide; secondary carboxamide	EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; neuroprotective agent; plant metabolite
triphosphate	[no description available]	low	0	0	aldehyde; indole alkaloid; organic heteropentacyclic compound	plant metabolite
aspalathin	[no description available]	low	0	0	C-glycosyl compound; catechols; dihydrochalcones; polyketide; polyphenol	antioxidant; EC 1.17.3.2 (xanthine oxidase) inhibitor; hypoglycemic agent; plant metabolite
glyceryl ferulate	[no description available]	low	0	0	1-monoglyceride; aromatic ether; enoate ester; phenols	antioxidant; plant metabolite; ultraviolet filter
obolactone	[no description available]	low	0	0	2-pyranones; 4-pyranones	antineoplastic agent; plant metabolite
quinine	[no description available]	low	0	0	Aspidosperma alkaloid; epoxide; methyl ester; monoterpenoid indole alkaloid; organic heterohexacyclic compound	plant metabolite
alpha-onocerin	[no description available]	low	0	0	diol; olefinic compound; secondary alcohol; triterpenoid	plant metabolite
kalopanax saponin b	[no description available]	low	0	0	carboxylic ester; pentacyclic triterpenoid; triterpenoid saponin	anti-inflammatory agent; plant metabolite
ginsenoside rd	[no description available]	low	0	0	beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	anti-inflammatory drug; apoptosis inducer; immunosuppressive agent; neuroprotective agent; plant metabolite; vulnerary
(+)-dehydrodiconiferyl alcohol	[no description available]	low	0	0	dehydrodiconiferyl alcohol	antioxidant; plant metabolite
viridiflorol	[no description available]	low	0	0	carbotricyclic compound; sesquiterpenoid; tertiary alcohol	anti-inflammatory agent; antifeedant; antimycobacterial drug; plant metabolite; volatile oil component
gedunin	[no description available]	low	0	0	acetate ester; enone; epoxide; furans; lactone; limonoid; organic heteropentacyclic compound; pentacyclic triterpenoid	antimalarial; antineoplastic agent; Hsp90 inhibitor; plant metabolite
morelloflavone	[no description available]	low	0	0	biflavonoid; hydroxyflavanone; hydroxyflavone	plant metabolite
2alpha,3beta-dihydroxy-20(29)-lupen-28-oic acid	[no description available]	low	0	0	dihydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite
azadiradione	[no description available]	low	0	0	acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid	anti-inflammatory agent; antimycobacterial drug; plant metabolite
(-)-pinoresinol	[no description available]	low	0	0	pinoresinol	plant metabolite
oplodiol	[no description available]	low	0	0	carbobicyclic compound; octahydronaphthalenes; secondary alcohol; sesquiterpenoid; tertiary alcohol	plant metabolite
roburic acid	[no description available]	low	0	0	monocarboxylic acid; olefinic compound; tetracyclic triterpenoid	plant metabolite
ginsenoside rc	[no description available]	low	0	0	12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	hypoglycemic agent; plant metabolite
ginsenoside rh1	[no description available]	low	0	0	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	plant metabolite
ginsenoside rb3	[no description available]	low	0	0	12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	antidepressant; antioxidant; cardioprotective agent; neuroprotective agent; NMDA receptor antagonist; plant metabolite
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one	[no description available]	low	0	0	alkaloid; chromones; hydroxypiperidine; resorcinols; tertiary amino compound	anti-inflammatory agent; anti-ulcer drug; anticholesteremic drug; antileishmanial agent; antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; fungal metabolite; plant metabolite
astragaloside IV	[no description available]	low	0	0	pentacyclic triterpenoid; triterpenoid saponin	anti-inflammatory agent; antioxidant; EC 4.2.1.1 (carbonic anhydrase) inhibitor; neuroprotective agent; plant metabolite; pro-angiogenic agent
1-O-feruloyl-beta-D-glucose	[no description available]	low	0	0	aromatic ether; beta-D-glucoside; cinnamate ester; phenols	antioxidant; plant metabolite
astragaloside ii	[no description available]	low	0	0	beta-D-glucoside; monosaccharide derivative; oxolanes; pentacyclic triterpenoid; triterpenoid saponin	plant metabolite
ligstroside	[no description available]	low	0	0	beta-D-glucoside; diester; methyl ester; phenols; pyrans; secoiridoid glycoside	antineoplastic agent; plant metabolite
23-hydroxyursolic acid	[no description available]	low	0	0	dihydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite
dihydroconiferyl alcohol glucoside	[no description available]	low	0	0	beta-D-glucoside; monomethoxybenzene; monosaccharide derivative; primary alcohol	plant metabolite
oroxylin a-7-o-glucuronide	[no description available]	low	0	0	beta-D-glucosiduronic acid; glycosyloxyflavone; monohydroxyflavone; monomethoxyflavone; monosaccharide derivative	plant metabolite
5-deoxystrigol	[no description available]	low	0	0	indenofuran; strigolactone	plant metabolite
2,3-dihydrowithaferin A	[no description available]	low	0	0	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide	plant metabolite
vibsanin b	[no description available]	low	0	0	cyclic terpene ketone; enone; tertiary alcohol; vibsane diterpenoid	plant growth retardant; plant metabolite
malonylgenistin	[no description available]	low	0	0	beta-D-glucoside; glycosyloxyisoflavone; hydroxyisoflavone; malonate ester; monosaccharide derivative	plant metabolite
adonixanthin	[no description available]	low	0	0	carotenone; cyclic ketone; secondary alcohol	algal metabolite; animal metabolite; antineoplastic agent; bacterial metabolite; marine metabolite; plant metabolite
niga-ichigoside f1	[no description available]	low	0	0	beta-D-glucoside; monosaccharide derivative; pentacyclic triterpenoid; tetrol; triterpenoid saponin	plant metabolite
cinnamtannin a2	[no description available]	low	0	0	proanthocyanidin	plant metabolite
benzoylaconine	[no description available]	low	0	0	benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound; tetrol	phytotoxin; plant metabolite
miltiradiene	[no description available]	low	0	0	abietadiene; carbotricyclic compound	plant metabolite
tricin 4'-o-(threo-beta-guaiacylglyceryl) ether	[no description available]	low	0	0	dimethoxybenzene; flavonolignan; polyphenol; primary alcohol; secondary alcohol	plant metabolite
triptotriterpenic acid a	[no description available]	low	0	0	diol; hydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite
cycloeucalenone	[no description available]	low	0	0	3-oxo-5alpha-steroid; cyclic terpene ketone; pentacyclic triterpenoid	plant metabolite
deoxyaconitine	[no description available]	low	0	0	acetate ester; benzoate ester; bridged compound; diol; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary amino compound	plant metabolite
ginsenoside rg2	[no description available]	low	0	0	12beta-hydroxy steroid; 20-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	anticoagulant; cardioprotective agent; plant metabolite
cauloside D	[no description available]	low	0	0	carboxylic ester; pentacyclic triterpenoid; triterpenoid saponin	anti-inflammatory agent; plant metabolite
oxypaeoniflora	[no description available]	low	0	0	4-hydroxybenzoate ester; beta-D-glucoside; bridged compound; cyclic acetal; lactol; monoterpene glycoside	plant metabolite
5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-one	[no description available]	low	0	0	aromatic ether; homoisoflavonoid; polyphenol	angiogenesis modulating agent; plant metabolite
vindolinine	[no description available]	low	0	0	methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	plant metabolite
rubusoside	[no description available]	low	0	0	beta-D-glucoside; bridged compound; steviol glycoside; tetracyclic diterpenoid	plant metabolite; sweetening agent
madecassoside	[no description available]	low	0	0	carboxylic ester; pentacyclic triterpenoid; trisaccharide derivative; triterpenoid saponin	anti-inflammatory agent; antioxidant; antirheumatic drug; plant metabolite; vulnerary
benzoylmesaconine	[no description available]	low	0	0	benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound; tetrol	analgesic; antiinfective agent; plant metabolite
albiflorin	[no description available]	low	0	0	benzoate ester; beta-D-glucoside; bridged compound; gamma-lactone; monoterpene glycoside; secondary alcohol	neuroprotective agent; plant metabolite
6-tuliposide b	[no description available]	low	0	0	6-O-acyl-D-glucose; enoate ester	antibacterial agent; antifungal agent; plant metabolite
quercetin 3-o-glucoside-7-o-rhamnoside	[no description available]	low	0	0	beta-D-glucoside; quercetin O-glucoside; trihydroxyflavone	plant metabolite; trypanocidal drug
10-nonacosanol	[no description available]	low	0	0	secondary fatty alcohol; ultra-long-chain fatty alcohol	plant metabolite
(E)-sinapaldehyde 4-O-beta-D-glucopyranoside	[no description available]	low	0	0	beta-D-glucoside; cinnamaldehydes; dimethoxybenzene; monosaccharide derivative	plant metabolite
1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one	[no description available]	low	0	0	diarylheptanoid; ketone; phenols	plant metabolite
kurarinol	[no description available]	low	0	0	4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone	anti-inflammatory agent; antioxidant; plant metabolite
2,3-dihydro-3beta-O-sulfate withaferin A	[no description available]	low	0	0	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; steroid sulfate; withanolide	antineoplastic agent; metabolite; plant metabolite
gypenoside XVII	[no description available]	low	0	0	12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	plant metabolite
euonine	[no description available]	low	0	0	acetate ester; dihydroagarofuran sesquiterpenoid; macrolide; pyridine alkaloid; sesquiterpene alkaloid	immunosuppressive agent; insecticide; plant metabolite
picrinine	[no description available]	low	0	0	alkaloid ester; indole alkaloid; methyl ester; organic heteropentacyclic compound; polycyclic ether	analgesic; anti-asthmatic agent; anti-inflammatory agent; antitussive; plant metabolite
(20R)-ginsenoside Rg3	[no description available]	low	0	0	ginsenoside; glycoside; tetracyclic triterpenoid	antioxidant; plant metabolite
epoxyazadiradione	[no description available]	low	0	0	acetate ester; cyclic terpene ketone; epoxide; furans; limonoid; pentacyclic triterpenoid	anti-inflammatory agent; insecticide; plant metabolite
n-(2-(5-methoxy-2-oxo-2,3-dihydro-1h-indol-3-yl)ethyl)acetamide	[no description available]	low	0	0	acetamides; hydroxyindoles; tryptamines	antineoplastic agent; apoptosis inducer; plant metabolite
orobanchol	[no description available]	low	0	0	indenofuran; secondary alcohol; strigolactone	plant metabolite
oleuropein aglycone	[no description available]	low	0	0	catechols; diester; lactol; methyl ester; pyrans; secoiridoid	anti-inflammatory agent; antioxidant; mTOR inhibitor; neuroprotective agent; plant metabolite; TRPA1 channel agonist
stemmadenine	[no description available]	low	0	0	Aspidosperma alkaloid; methyl ester; monoterpenoid indole alkaloid; organic heterotetracyclic compound; primary alcohol	plant metabolite
capilliposide b	[no description available]	low	0	0	alpha-L-arabinopyranoside; bridged compound; cyclic ether; diol; hexacyclic triterpenoid; hexanoate ester; lactol; secondary alcohol; tetrasaccharide derivative; triterpenoid saponin	antineoplastic agent; plant metabolite
paeoniflorigenone	[no description available]	low	0	0	alicyclic ketone; benzoate ester; bridged compound; cyclic acetal; lactol; monoterpenoid	neuromuscular agent; plant metabolite
maysin	[no description available]	low	0	0	disaccharide derivative; flavone C-glycoside; secondary alpha-hydroxy ketone; tetrahydroxyflavone	insecticide; neuroprotective agent; plant metabolite
cryptocaryol a	[no description available]	low	0	0	2-pyranones; pentol	plant metabolite
gypenoside LXXV	[no description available]	low	0	0	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	plant metabolite
chrysopine	[no description available]	low	0	0	amino acid opine; carboxamide; delta-lactone; secondary amino compound; spiroketal; triol	plant metabolite
ebc-46	[no description available]	low	0	0	diester; diterpenoid; organic heteropentacyclic compound; phorbol ester	antineoplastic agent; plant metabolite; protein kinase C agonist
wilforgine	[no description available]	low	0	0	acetate ester; dihydroagarofuran sesquiterpenoid; furans; macrocyclic lactone; organic heteropentacyclic compound; pyridine alkaloid	plant metabolite
dehydrotomatine	[no description available]	low	0	0	alkaloid antibiotic; glycoside; steroid alkaloid; tetrasaccharide derivative	antifungal agent; phytotoxin; plant metabolite
biliatresone	[no description available]	low	0	0	aromatic ether; aromatic ketone; benzodioxoles; enone; phenols	plant metabolite; toxin
deoxyinosine	[no description available]	low	0	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
deoxyguanosine triphosphate	[no description available]	low	0	0	deoxyguanosine phosphate; guanyl deoxyribonucleotide; purine 2'-deoxyribonucleoside 5'-triphosphate	Arabidopsis thaliana metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
guanosine diphosphate mannose	[no description available]	low	0	0	GDP-D-mannose	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite
hippuric acid	[no description available]	low	0	0	N-acylglycine	human blood serum metabolite; uremic toxin
3-methoxytyramine	[no description available]	low	0	0	monomethoxybenzene; phenols; phenylethylamine; primary amino compound	biomarker; human blood serum metabolite; human urinary metabolite
caprolactam	[no description available]	low	0	0	caprolactams	human blood serum metabolite
4-hexanolide	[no description available]	low	0	0	butan-4-olide	human blood serum metabolite
n-myristoylglycine	[no description available]	low	0	0	fatty amide; N-acylglycine	human blood serum metabolite; human urinary metabolite
21-deoxycortisol	[no description available]	low	0	0	11beta-hydroxy steroid; 17alpha-hydroxy-C21-steroid; deoxycortisol; tertiary alpha-hydroxy ketone	human blood serum metabolite; mouse metabolite
aspartyl-phenylalanine	[no description available]	low	0	0	dipeptide	human blood serum metabolite; human xenobiotic metabolite
ribavirin 5'-diphosphate	[no description available]	low	0	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide; ribose monophosphate	antiviral agent; drug metabolite; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; human blood serum metabolite
1-hydroxymethylmidazolam	[no description available]	low	0	0	aromatic primary alcohol; imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	drug metabolite; human blood serum metabolite; human urinary metabolite
24-hydroxycholesterol	[no description available]	low	0	0	24-hydroxycholesterol	biomarker; human blood serum metabolite; mouse metabolite
ribavirin 5'-triphosphate	[no description available]	low	0	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide; ribose triphosphate	antiviral agent; drug metabolite; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; eukaryotic initiation factor 4F inhibitor; human blood serum metabolite
dopamine 3-o-sulfate	[no description available]	low	0	0	aryl sulfate; phenols; primary amino compound; zwitterion	human blood serum metabolite; human urinary metabolite
dopamine 4-o-sulfate	[no description available]	low	0	0	aryl sulfate; phenols; primary amino compound; zwitterion	human blood serum metabolite; human urinary metabolite
4-hydroxymidazolam	[no description available]	low	0	0	imidazobenzodiazepine; monofluorobenzenes; organic hydroxy compound; organochlorine compound	drug metabolite; human blood serum metabolite; human urinary metabolite
1-hydroxymethylmidazolam glucuronide	[no description available]	low	0	0	beta-D-glucosiduronic acid; imidazobenzodiazepine; monofluorobenzenes; monosaccharide derivative; organochlorine compound	drug metabolite; human blood serum metabolite; human urinary metabolite
4-hydroxyhippuric acid	[no description available]	low	0	0	N-acylglycine	human blood serum metabolite
alpha-ketocaproic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; medium-chain fatty acid; oxo fatty acid; straight-chain fatty acid	human blood serum metabolite
acetyltaurine	[no description available]	low	0	0	acetamides; organosulfonic acid	human blood serum metabolite; human urinary metabolite
3-hydroxyglutaric acid	[no description available]	low	0	0	3-hydroxy carboxylic acid; alpha,omega-dicarboxylic acid	human blood serum metabolite; human urinary metabolite
7-oxodehydroepiandrosterone	[no description available]	low	0	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; 7-oxo steroid; androstanoid	human blood serum metabolite; nutraceutical; prohormone
deoxycholic acid	[no description available]	low	0	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human blood serum metabolite
epietiocholanolone	[no description available]	low	0	0	17-oxo steroid; 3beta-hydroxy steroid; androstanoid	androgen; animal metabolite; human blood serum metabolite; mouse metabolite; rat metabolite
palmitoleic acid	[no description available]	low	0	0	hexadec-9-enoic acid	algal metabolite; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; human blood serum metabolite
histidyl-proline diketopiperazine	[no description available]	low	0	0	dipeptide; homodetic cyclic peptide; imidazoles; pyrrolopyrazine	anti-inflammatory agent; dopamine uptake inhibitor; human blood serum metabolite
20-carboxyleukotriene b4	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; hydroxy carboxylic acid; leukotriene	human blood serum metabolite; human urinary metabolite
9,10,13-trihydroxy-11-octadecenoic acid	[no description available]	low	0	0	long-chain fatty acid; monounsaturated fatty acid; straight-chain fatty acid; TriHOME	human blood serum metabolite
n-palmitoylsphingosine	[no description available]	low	0	0	Cer(d34:1); N-acylsphingosine; N-palmitoyl-sphingoid base	human blood serum metabolite; Mycoplasma genitalium metabolite
menaquinone 7	[no description available]	low	0	0	menaquinone	bone density conservation agent; cofactor; Escherichia coli metabolite; human blood serum metabolite; Mycoplasma genitalium metabolite
ethyl arachidonate	[no description available]	low	0	0	long-chain fatty acid ethyl ester	human blood serum metabolite; human xenobiotic metabolite
phenylalanylphenylalanine	[no description available]	low	0	0	dipeptide; L-aminoacyl-L-amino acid zwitterion	human blood serum metabolite; Mycoplasma genitalium metabolite
glycoursodeoxycholic acid	[no description available]	low	0	0	bile acid glycine conjugate; N-acylglycine	human blood serum metabolite; neuroprotective agent
apelin-12 peptide	[no description available]	low	0	0	oligopeptide	biomarker; human blood serum metabolite; human metabolite; neuroprotective agent
alpha-hydroxyglutarate	[no description available]	low	0	0	2-hydroxydicarboxylic acid; dicarboxylic fatty acid	metabolite; mouse metabolite
alpha-ketoadipic acid	[no description available]	low	0	0	oxo dicarboxylic acid	human urinary metabolite; mouse metabolite
3-hydroxyanthranilic acid	[no description available]	low	0	0	aminobenzoic acid; monohydroxybenzoic acid	human metabolite; mouse metabolite
3-mercaptopyruvic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; thiol	antidote to cyanide poisoning; Escherichia coli metabolite; human metabolite; mouse metabolite
n-carbamoyl-beta-alanine	[no description available]	low	0	0	beta-alanine derivative	metabolite; mouse metabolite
4-aminobutyraldehyde	[no description available]	low	0	0	aminobutanal; omega-aminoaldehyde	Escherichia coli metabolite; mouse metabolite
isocaproaldehyde	[no description available]	low	0	0	alpha-CH2-containing aldehyde	human metabolite; mouse metabolite
ethylene glycol	[no description available]	low	0	0	ethanediol; glycol	metabolite; mouse metabolite; solvent; toxin
acetyl phosphate	[no description available]	low	0	0	acyl monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
agmatine	[no description available]	low	0	0	guanidines; primary amino compound	Escherichia coli metabolite; mouse metabolite
aminoacetone	[no description available]	low	0	0	methyl ketone; propanones	Escherichia coli metabolite; mouse metabolite
anthranilic acid	[no description available]	low	0	0	aminobenzoic acid	human metabolite; mouse metabolite
hydrobromic acid	[no description available]	low	0	0	gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
butyraldehyde	[no description available]	low	0	0	butanals	biomarker; Escherichia coli metabolite; mouse metabolite
carbamyl phosphate	[no description available]	low	0	0	acyl monophosphate; one-carbon compound	Escherichia coli metabolite; mouse metabolite
carnitine	[no description available]	low	0	0	amino-acid betaine	human metabolite; mouse metabolite
hydrochloric acid	[no description available]	low	0	0	chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
coproporphyrinogen iii	[no description available]	low	0	0	coproporphyrinogen	Escherichia coli metabolite; mouse metabolite
aminoethylphosphonic acid	[no description available]	low	0	0	phosphonic acids; primary amino compound; zwitterion	human metabolite; metabolite; mouse metabolite
1,2-dihydroxy-1,2-dihydronaphthalene	[no description available]	low	0	0	dihydronaphthalenes; naphthalenediols	bacterial xenobiotic metabolite; mouse metabolite
4-nitrophenylphosphate	[no description available]	low	0	0	aryl phosphate	mouse metabolite
trimethylenediamine	[no description available]	low	0	0	alkane-alpha,omega-diamine	human metabolite; mouse metabolite; reagent
phosphonoacetaldehyde	[no description available]	low	0	0	phosphonic acids	mouse metabolite
gamma-guanidinobutyric acid	[no description available]	low	0	0	guanidines; monocarboxylic acid; zwitterion	fungal metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
phosphoglycolate	[no description available]	low	0	0	carboxyalkyl phosphate	Escherichia coli metabolite; mouse metabolite
hydrogen selenide	[no description available]	low	0	0	mononuclear parent hydride; selenium hydride	Escherichia coli metabolite; mouse metabolite
alpha-keto-delta-guanidinovaleric acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; zwitterion	human metabolite; mouse metabolite
3,3-dimethylallyl pyrophosphate	[no description available]	low	0	0	prenol phosphate	epitope; Escherichia coli metabolite; mouse metabolite; phosphoantigen
dihydrouracil	[no description available]	low	0	0	pyrimidone	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
diethyl phosphate	[no description available]	low	0	0	dialkyl phosphate	human xenobiotic metabolite; mouse metabolite
o,o-diethyl phosphorothionate	[no description available]	low	0	0	organic thiophosphate	human xenobiotic metabolite; mouse metabolite
dihydrolipoamide	[no description available]	low	0	0	dithiol; monocarboxylic acid amide	cofactor; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
dihydroxyacetone phosphate	[no description available]	low	0	0	glycerone phosphates; primary alpha-hydroxy ketone	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
dihydroxyacetone	[no description available]	low	0	0	ketotriose; primary alpha-hydroxy ketone	antifungal agent; Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
dimethylglycine	[no description available]	low	0	0	amino acid zwitterion; N-methyl-amino acid; N-methylglycines	Daphnia magna metabolite; human metabolite; mouse metabolite
ethanolamine	[no description available]	low	0	0	ethanolamines; primary alcohol; primary amine	Escherichia coli metabolite; human metabolite; mouse metabolite
glyoxylic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; aldehydic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
glycocyamine	[no description available]	low	0	0	guanidinoacetic acids; zwitterion	bacterial metabolite; human metabolite; mouse metabolite; nutraceutical; rat metabolite
carbonic acid	[no description available]	low	0	0	carbon oxoacid; chalcocarbonic acid	mouse metabolite
hydantoin-5-propionic acid	[no description available]	low	0	0	imidazolidine-2,4-dione; monocarboxylic acid	metabolite; mouse metabolite
hydroxymethylbilane	[no description available]	low	0	0	bilanes	Escherichia coli metabolite; mouse metabolite
indole-3-acetaldehyde	[no description available]	low	0	0	indoleacetaldehyde	bacterial metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
lactaldehyde	[no description available]	low	0	0	hydroxyaldehyde; propanals	mouse metabolite
lipoamide	[no description available]	low	0	0	dithiolanes; monocarboxylic acid amide	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
hydroxide ion	[no description available]	low	0	0	oxygen hydride	mouse metabolite
orotic acid	[no description available]	low	0	0	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite
4-nitrophenol	[no description available]	low	0	0	4-nitrophenols	human xenobiotic metabolite; mouse metabolite
hexadecanal	[no description available]	low	0	0	2,3-saturated fatty aldehyde; long-chain fatty aldehyde	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
parathion	[no description available]	low	0	0	C-nitro compound; organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; mouse metabolite
phenanthrene	[no description available]	low	0	0	ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon; phenanthrenes	environmental contaminant; mouse metabolite
phenylacetaldehyde	[no description available]	low	0	0	alpha-CH2-containing aldehyde; phenylacetaldehydes	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
phosphorylcholine	[no description available]	low	0	0	phosphocholines	allergen; epitope; hapten; human metabolite; mouse metabolite
phosphorylethanolamine	[no description available]	low	0	0	phosphoethanolamine; primary amino compound	algal metabolite; human metabolite; mouse metabolite
porphobilinogen	[no description available]	low	0	0	aralkylamino compound; dicarboxylic acid; pyrroles	Escherichia coli metabolite; metabolite; mouse metabolite
pyridoxal	[no description available]	low	0	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyridoxamine phosphate	[no description available]	low	0	0	aminoalkylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyridoxine 5-phosphate	[no description available]	low	0	0	vitamin B6 phosphate	Escherichia coli metabolite; mouse metabolite
succinic semialdehyde	[no description available]	low	0	0	aldehydic acid	Escherichia coli metabolite; mouse metabolite
tartronate semialdehyde	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; 3-oxo monocarboxylic acid; aldehyde	Escherichia coli metabolite; mouse metabolite
uroporphyrinogen iii	[no description available]	low	0	0	uroporphyrinogen	Escherichia coli metabolite; mouse metabolite
isopentenyl pyrophosphate	[no description available]	low	0	0	prenol phosphate	antigen; antioxidant; epitope; Escherichia coli metabolite; mouse metabolite; phosphoantigen
perillic acid	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid	antineoplastic agent; human metabolite; mouse metabolite
5-methoxytryptamine	[no description available]	low	0	0	aromatic ether; primary amino compound; tryptamines	5-hydroxytryptamine 2A receptor agonist; 5-hydroxytryptamine 2B receptor agonist; 5-hydroxytryptamine 2C receptor agonist; antioxidant; cardioprotective agent; human metabolite; mouse metabolite; neuroprotective agent; radiation protective agent; serotonergic agonist
adrenic acid	[no description available]	low	0	0	docosatetraenoic acid	mouse metabolite
benzo(a)pyrene	[no description available]	low	0	0	ortho- and peri-fused polycyclic arene	carcinogenic agent; mouse metabolite
chloral hydrate	[no description available]	low	0	0	aldehyde hydrate; ethanediol; organochlorine compound	general anaesthetic; mouse metabolite; sedative; xenobiotic
2,5-dihydroxybenzoic acid	[no description available]	low	0	0	dihydroxybenzoic acid	EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; fungal metabolite; human metabolite; MALDI matrix material; mouse metabolite
tele-methylhistamine	[no description available]	low	0	0	imidazoles; primary amino compound	human metabolite; mouse metabolite
estriol	[no description available]	low	0	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
thyroxine	[no description available]	low	0	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
etiocholanolone	[no description available]	low	0	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid	human metabolite; mouse metabolite
dehydroepiandrosterone	[no description available]	low	0	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
triiodothyronine	[no description available]	low	0	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
uridine monophosphate	[no description available]	low	0	0	pyrimidine ribonucleoside 5'-monophosphate; uridine 5'-phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
uridine diphosphate	[no description available]	low	0	0	pyrimidine ribonucleoside 5'-diphosphate; uridine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
galactose	[no description available]	low	0	0	D-galactose; galactopyranose	Escherichia coli metabolite; mouse metabolite
cysteamine	[no description available]	low	0	0	amine; thiol	geroprotector; human metabolite; mouse metabolite; radiation protective agent
cytidine monophosphate	[no description available]	low	0	0	cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
cytidine diphosphate	[no description available]	low	0	0	cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-diphosphate	Escherichia coli metabolite; mouse metabolite
uridine triphosphate	[no description available]	low	0	0	pyrimidine ribonucleoside 5'-triphosphate; uridine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
desoxycorticosterone	[no description available]	low	0	0	20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
cytidine triphosphate	[no description available]	low	0	0	cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite
1-naphthaldehyde	[no description available]	low	0	0	naphthaldehyde	mouse metabolite
2-naphthaldehyde	[no description available]	low	0	0	naphthaldehyde	mouse metabolite
methylamine	[no description available]	low	0	0	methylamines; one-carbon compound; primary aliphatic amine	mouse metabolite
ethylene oxide	[no description available]	low	0	0	gas molecular entity; oxacycle; saturated organic heteromonocyclic parent	allergen; mouse metabolite; mutagen
vinylidene chloride	[no description available]	low	0	0	chloroethenes	carcinogenic agent; mouse metabolite; mutagen
trichloroacetaldehyde	[no description available]	low	0	0	aldehyde; organochlorine compound	mouse metabolite
trichloroacetic acid	[no description available]	low	0	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
trichloroethylene	[no description available]	low	0	0	chloroethenes	inhalation anaesthetic; mouse metabolite
pyridoxic acid	[no description available]	low	0	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	human urinary metabolite; mouse metabolite
1-nitronaphthalene	[no description available]	low	0	0	mononitronaphthalene	environmental contaminant; mouse metabolite
beta-glucono-1,5-lactone	[no description available]	low	0	0	aldono-1,5-lactone; gluconolactone	animal metabolite; mouse metabolite
2-naphthoic acid	[no description available]	low	0	0	naphthoic acid	mouse metabolite; xenobiotic metabolite
methylphenyl carbinol	[no description available]	low	0	0	aromatic alcohol	mouse metabolite
trehalose	[no description available]	low	0	0	trehalose	Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
2-phenylacetamide	[no description available]	low	0	0	monocarboxylic acid amide	mouse metabolite
4-bromophenol	[no description available]	low	0	0	bromophenol	human urinary metabolite; human xenobiotic metabolite; marine metabolite; mouse metabolite; persistent organic pollutant; rat metabolite
ethylene dibromide	[no description available]	low	0	0	bromoalkane; bromohydrocarbon	algal metabolite; carcinogenic agent; fumigant; marine metabolite; mouse metabolite; mutagen
bromobenzene	[no description available]	low	0	0	bromoarene; bromobenzenes; volatile organic compound	hepatotoxic agent; mouse metabolite; non-polar solvent
2-heptanone	[no description available]	low	0	0	dialkyl ketone; methyl ketone	mouse metabolite; pheromone
2,2,2-trichloroethanol	[no description available]	low	0	0	chloroethanol	mouse metabolite
acetol	[no description available]	low	0	0	methyl ketone; primary alcohol; primary alpha-hydroxy ketone; propanones	Escherichia coli metabolite; human metabolite; mouse metabolite
2-naphthol	[no description available]	low	0	0	naphthol	antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger
pregnenolone	[no description available]	low	0	0	20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid	human metabolite; mouse metabolite
20-alpha-dihydroprogesterone	[no description available]	low	0	0	20-hydroxypregn-4-en-3-one	human metabolite; mouse metabolite
D-proline	[no description available]	low	0	0	D-alpha-amino acid zwitterion; D-alpha-amino acid; proline	mouse metabolite
diiodotyrosine	[no description available]	low	0	0	diiodotyrosine; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite
paraoxon	[no description available]	low	0	0	aryl dialkyl phosphate; organophosphate insecticide	EC 3.1.1.7 (acetylcholinesterase) inhibitor; mouse metabolite
methyl-4-tyramine	[no description available]	low	0	0	tyramines	mouse metabolite
lithocholic acid	[no description available]	low	0	0	bile acid; C24-steroid; monohydroxy-5beta-cholanic acid	geroprotector; human metabolite; mouse metabolite
chenodeoxycholic acid	[no description available]	low	0	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
phosphoadenosine phosphosulfate	[no description available]	low	0	0	acyl sulfate; adenosine bisphosphate; purine ribonucleoside bisphosphate	Escherichia coli metabolite; mouse metabolite
adenosine phosphosulfate	[no description available]	low	0	0	acyl monophosphate; acyl sulfate; adenosine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
fructose-1,6-diphosphate	[no description available]	low	0	0	D-fructofuranose 1,6-bisphosphate	mouse metabolite
androstenediol	[no description available]	low	0	0	17beta-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid	androgen; human metabolite; mouse metabolite; radiation protective agent
hydroxyhydroquinone	[no description available]	low	0	0	benzenetriol	mouse metabolite
18-hydroxycorticosterone	[no description available]	low	0	0	11beta-hydroxy steroid; 18-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo steroid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
1,2-dihydroxynaphthalene	[no description available]	low	0	0	naphthalenediol	mouse metabolite
galactitol	[no description available]	low	0	0	hexitol	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
2-hydroxyphenylacetic acid	[no description available]	low	0	0	hydroxy monocarboxylic acid; phenols	human metabolite; mouse metabolite
propiolaldehyde	[no description available]	low	0	0	terminal acetylenic compound; ynal	mouse metabolite
dehydroepiandrosterone sulfate	[no description available]	low	0	0	17-oxo steroid; steroid sulfate	EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite; mouse metabolite
phenylphosphate	[no description available]	low	0	0	aryl phosphate	mouse metabolite
n-cyclohexylformamide	[no description available]	low	0	0	alicyclic compound; formamides	mouse metabolite
deoxycytidine	[no description available]	low	0	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
deoxyuridine	[no description available]	low	0	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
2'-deoxyadenosine	[no description available]	low	0	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
cytidine diphosphate choline	[no description available]	low	0	0	nucleotide-(amino alcohol)s; phosphocholines	human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite
deoxycytidine monophosphate	[no description available]	low	0	0	2'-deoxycytidine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-monophosphate	Escherichia coli metabolite; mouse metabolite
nicotinamide mononucleotide	[no description available]	low	0	0	nicotinamide mononucleotide	Escherichia coli metabolite; mouse metabolite
2'-deoxyadenosine triphosphate	[no description available]	low	0	0	2'-deoxyadenosine 5'-phosphate; purine 2'-deoxyribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite
perillaldehyde	[no description available]	low	0	0	aldehyde; olefinic compound	human metabolite; mouse metabolite; volatile oil component
fucose	[no description available]	low	0	0	fucopyranose; L-fucose	Escherichia coli metabolite; mouse metabolite
uridine diphosphate glucuronic acid	[no description available]	low	0	0	UDP-D-glucuronic acid	Escherichia coli metabolite; human metabolite; mouse metabolite
uridine diphosphate galactose	[no description available]	low	0	0	UDP-D-galactose	mouse metabolite
1-naphthalenemethanol	[no description available]	low	0	0	naphthylmethanol	mouse metabolite
diadenosine tetraphosphate	[no description available]	low	0	0	diadenosyl tetraphosphate	Escherichia coli metabolite; mouse metabolite
d-glutamate	[no description available]	low	0	0	D-alpha-amino acid; glutamic acid	Escherichia coli metabolite; mouse metabolite
hydroiodic acid	[no description available]	low	0	0	gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
iron	[no description available]	low	0	0	divalent metal cation; iron cation; monoatomic dication	cofactor; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
trichloroepoxyethane	[no description available]	low	0	0	epoxide	mouse metabolite
ursodeoxycholic acid	[no description available]	low	0	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
adenosine diphosphate ribose	[no description available]	low	0	0	ADP-sugar	Escherichia coli metabolite; mouse metabolite
acetylgalactosamine	[no description available]	low	0	0	N-acetyl-D-hexosamine; N-acetylgalactosamine	Escherichia coli metabolite; human metabolite; mouse metabolite
phosphopantothenic acid	[no description available]	low	0	0	amidoalkyl phosphate	Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
cyromazine	[no description available]	low	0	0	triamino-1,3,5-triazine	mouse metabolite; triazine insecticide
thymidine 5'-triphosphate	[no description available]	low	0	0	pyrimidine 2'-deoxyribonucleoside 5'-triphosphate; thymidine phosphate	Escherichia coli metabolite; mouse metabolite
2'-deoxyuridylic acid	[no description available]	low	0	0	deoxyuridine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-monophosphate	Escherichia coli metabolite; metabolite; mouse metabolite
n-acetylaspartic acid	[no description available]	low	0	0	N-acetyl-L-amino acid; N-acyl-L-aspartic acid	antioxidant; human metabolite; mouse metabolite; nutraceutical; rat metabolite
deoxyuridine triphosphate	[no description available]	low	0	0	deoxyuridine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-triphosphate	Arabidopsis thaliana metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite
homocitrulline	[no description available]	low	0	0	amino acid zwitterion; L-lysine derivative; non-proteinogenic L-alpha-amino acid; ureas	human metabolite; mouse metabolite
2'-deoxycytidine 5'-triphosphate	[no description available]	low	0	0	2'-deoxycytidine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-triphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
glutathione disulfide	[no description available]	low	0	0	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
lathosterol	[no description available]	low	0	0	3beta-sterol; C27-steroid; cholestanoid; Delta(7)-sterol	human metabolite; mouse metabolite
3'-cmp	[no description available]	low	0	0	cytidine 3'-phosphate; pyrimidine ribonucleoside 3'-monophosphate	Escherichia coli metabolite; metabolite; mouse metabolite
cystine	[no description available]	low	0	0	cystine zwitterion; cystine; L-cysteine derivative; non-proteinogenic L-alpha-amino acid	EC 1.2.1.11 (aspartate-semialdehyde dehydrogenase) inhibitor; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
phenylacetylglycine	[no description available]	low	0	0	monocarboxylic acid amide; monocarboxylic acid; N-acylglycine	human metabolite; mouse metabolite
hordenine	[no description available]	low	0	0	phenethylamine alkaloid	human metabolite; mouse metabolite
glutaurine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide; L-glutamine derivative; sulfonic acid	anticonvulsant; anxiolytic drug; hormone; human metabolite; mammalian metabolite; mouse metabolite
cifostodine	[no description available]	low	0	0	2',3'-cyclic pyrimidine nucleotide	Escherichia coli metabolite; mouse metabolite; Mycoplasma genitalium metabolite
n'-methyl-2-pyridone-5-carboxamide	[no description available]	low	0	0	methylpyridines; pyridinecarboxamide; pyridone	metabolite; mouse metabolite
cyclopropylamine	[no description available]	low	0	0	primary aliphatic amine	mouse metabolite
5-hydroxymethylcytosine	[no description available]	low	0	0	aminopyrimidine; aromatic primary alcohol; nucleobase analogue; pyrimidone	human metabolite; mouse metabolite
2,5-dihydroxybenzaldehyde	[no description available]	low	0	0	dihydroxybenzaldehyde	human metabolite; mouse metabolite; Penicillium metabolite
6-hydroxynicotinic acid	[no description available]	low	0	0	monohydroxypyridine	Arabidopsis thaliana metabolite; human urinary metabolite; mouse metabolite
xanthosine 5'-triphosphate	[no description available]	low	0	0	purine ribonucleoside 5'-monophosphate; xanthosine 5'-phosphate	Escherichia coli metabolite; metabolite; mouse metabolite
2-naphthalenemethanol	[no description available]	low	0	0	naphthylmethanol	mouse metabolite; xenobiotic metabolite
hydroxyindoleacetaldehyde	[no description available]	low	0	0	hydroxyindoles; indoleacetaldehyde	human metabolite; mouse metabolite
xanthurenic acid 8-methyl ether	[no description available]	low	0	0	aromatic ether; monohydroxyquinoline; quinolinemonocarboxylic acid	carcinogenic agent; metabolite; mouse metabolite
glucose	[no description available]	low	0	0	D-glucopyranose	mouse metabolite
biocytin	[no description available]	low	0	0	azabicycloalkane; L-alpha-amino acid zwitterion; L-lysine derivative; monocarboxylic acid amide; non-proteinogenic L-alpha-amino acid; thiabicycloalkane; ureas	mouse metabolite
d-aspartic acid	[no description available]	low	0	0	aspartic acid; D-alpha-amino acid	mouse metabolite
3,4-dihydroxymandelic acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; catechols	antioxidant; drug metabolite; human metabolite; mouse metabolite
17-alpha-hydroxypregnenolone	[no description available]	low	0	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; hydroxypregnenolone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
3,4-dihydroxyphenylglycol	[no description available]	low	0	0	catechols; tetrol	metabolite; mouse metabolite
24-methylenecholesterol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol	mouse metabolite
succinyl-coenzyme a	[no description available]	low	0	0	omega-carboxyacyl-CoA	Escherichia coli metabolite; inhibitor; mouse metabolite
acetoacetyl coa	[no description available]	low	0	0	3-oxo-fatty acyl-CoA	Escherichia coli metabolite; mouse metabolite
2,8-dihydroxyadenine	[no description available]	low	0	0	6-aminopurines; diol; heteroaryl hydroxy compound; oxopurine	human urinary metabolite; mammalian metabolite; mouse metabolite; nephrotoxic agent
5beta-pregnane-3,20-dione	[no description available]	low	0	0	20-oxo steroid; 3-oxo-5beta-steroid; C21-steroid	human metabolite; mouse metabolite
zymosterol	[no description available]	low	0	0	3beta-sterol; cholestanoid	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
propionyl-coenzyme a	[no description available]	low	0	0	acyl-CoA	Escherichia coli metabolite; metabolite; mouse metabolite
5,6-dihydrothymine	[no description available]	low	0	0	pyrimidone	human metabolite; metabolite; mouse metabolite
stearoyl-coenzyme a	[no description available]	low	0	0	11,12-saturated fatty acyl-CoA; long-chain fatty acyl-CoA	Escherichia coli metabolite; mouse metabolite
imidazoleacetic acid	[no description available]	low	0	0	imidazoles; monocarboxylic acid	metabolite; mouse metabolite
1-hydroxyphenanthrene	[no description available]	low	0	0	phenanthrol	mouse metabolite
2,5-dihydroxypyridine	[no description available]	low	0	0	dihydroxypyridine	mouse metabolite
cerium	[no description available]	low	0	0	cholesteryl ester	mouse metabolite
zymostenol	[no description available]	low	0	0	3beta-sterol; cholestanoid	human metabolite; mouse metabolite
16-hydroxydehydroepiandrosterone	[no description available]	low	0	0	16alpha-hydroxy steroid; 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid; secondary alpha-hydroxy ketone	human metabolite; mouse metabolite
hydrogen sulfite	[no description available]	low	0	0	sulfur oxoanion	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
ecgonine methyl ester	[no description available]	low	0	0	methyl ester; tertiary amino compound; tropane alkaloid	analgesic; central nervous system depressant; metabolite; mouse metabolite; opioid analgesic; peripheral nervous system drug
2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine	[no description available]	low	0	0	hydroxylamine; imidazopyridine	carcinogenic agent; genotoxin; human xenobiotic metabolite; mouse metabolite; mutagen; neurotoxin; rat metabolite
fructose 2,6-diphosphate	[no description available]	low	0	0	D-fructofuranose 2,6-bisphosphate	human metabolite; mouse metabolite
cholest-5-en-3 beta,7 alpha-diol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 7alpha-hydroxy steroid; oxysterol	mouse metabolite
s-chloromethylglutathione	[no description available]	low	0	0	organochlorine compound; S-substituted glutathione	alkylating agent; bacterial xenobiotic metabolite; mouse metabolite
5-acetylamino-6-formylamino-3-methyluracil	[no description available]	low	0	0	formamidopyrimidine	mouse metabolite
anserine	[no description available]	low	0	0	beta-alanine derivative; dipeptide; zwitterion	animal metabolite; mouse metabolite
5,6-dihydroxyindole	[no description available]	low	0	0	dihydroxyindole	mouse metabolite
androsterone glucuronide	[no description available]	low	0	0	beta-D-glucosiduronic acid; steroid glucosiduronic acid	human metabolite; metabolite; mouse metabolite
estrone-3-glucuronide	[no description available]	low	0	0	17-oxo steroid; beta-D-glucosiduronic acid; steroid glucosiduronic acid	human metabolite; mouse metabolite
3,4-dihydroxyphenylacetaldehyde	[no description available]	low	0	0	alpha-CH2-containing aldehyde; catechols; phenylacetaldehydes	Escherichia coli metabolite; human metabolite; mouse metabolite
5,6-dihydroxy-2-indolylcarboxylic acid	[no description available]	low	0	0	dihydroxyindole	mouse metabolite
protoporphyrinogen	[no description available]	low	0	0	porphyrinogens	Escherichia coli metabolite; mouse metabolite
inositol-3,4,5,6-tetrakisphosphate	[no description available]	low	0	0	myo-inositol tetrakisphosphate	mouse metabolite
(20s)-20-hydroxycholesterol	[no description available]	low	0	0	20-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; oxysterol	human metabolite; mouse metabolite
butyryl-coenzyme a	[no description available]	low	0	0	butanoyl-CoAs	Escherichia coli metabolite; mouse metabolite
n-acetylputrescine	[no description available]	low	0	0	N-monoacetylalkane-alpha,omega-diamine; N-substituted putrescine	metabolite; mouse metabolite
erythrose 4-phosphate	[no description available]	low	0	0	erythrose phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
cdp ethanolamine	[no description available]	low	0	0	nucleotide-(amino alcohol)s; phosphoethanolamine	mouse metabolite
7 alpha-hydroxy-4-cholesten-3-one	[no description available]	low	0	0	3-oxo-Delta(4) steroid; 7alpha-hydroxy steroid; cholestanoid	human metabolite; mouse metabolite
galactose-1-phosphate	[no description available]	low	0	0	alpha-D-hexose 1-phosphate; D-galactopyranose 1-phosphate	Escherichia coli metabolite; mouse metabolite
gamma-glutamylcysteine	[no description available]	low	0	0	gamma-glutamylcysteine	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
27-hydroxycholesterol	[no description available]	low	0	0	26-hydroxycholesterol	apoptosis inducer; human metabolite; mouse metabolite; neuroprotective agent
dehydroalanine	[no description available]	low	0	0	2,3-dehydroamino acid; alpha,beta-unsaturated monocarboxylic acid; amino acid zwitterion; enamine; non-proteinogenic alpha-amino acid	alkylating agent; human metabolite; mouse metabolite
1-myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine	[no description available]	low	0	0	1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine; phosphatidylcholine 30:0; tetradecanoate ester	mouse metabolite
proline	[no description available]	low	0	0	amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid	algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
d-glutamine	[no description available]	low	0	0	amino acid zwitterion; D-alpha-amino acid; glutamine	mouse metabolite
diquafosol	[no description available]	low	0	0	pyrimidine ribonucleoside 5'-tetraphosphate; uridine 5'-phosphate	mouse metabolite; P2Y2 receptor agonist
2'-deoxycytidine diphosphate	[no description available]	low	0	0	2'-deoxycytidine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-diphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
19-hydroxytestosterone	[no description available]	low	0	0	17beta-hydroxy steroid; 19-hydroxy steroid; 3-oxo-Delta(4) steroid	mouse metabolite
2-hydroxy-1,4-benzoquinone	[no description available]	low	0	0	monohydroxy-1,4-benzoquinones	mouse metabolite
3,4-dihydroxyphenylglycolaldehyde	[no description available]	low	0	0	catechols; hydroxyaldehyde	human metabolite; mouse metabolite; neurotoxin
sorbitol 6-phosphate	[no description available]	low	0	0	alditol 6-phosphate; glucitol phosphate	Escherichia coli metabolite; mouse metabolite
adenosine 3'-phosphate-5'-phosphate	[no description available]	low	0	0	adenosine bisphosphate	Escherichia coli metabolite; mouse metabolite
androsterone sulfate	[no description available]	low	0	0	17-oxo steroid; androstanoid; steroid sulfate	human metabolite; mouse metabolite
alpha-ribazole	[no description available]	low	0	0	1-ribosylbenzimidazole; dimethylbenzimidazole	Escherichia coli metabolite; mouse metabolite
3,7,12-trihydroxycoprostane	[no description available]	low	0	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid	human metabolite; mouse metabolite
saccharopine	[no description available]	low	0	0	amino acid opine; L-lysine derivative	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
allysine	[no description available]	low	0	0	allysine; amino acid zwitterion; aminoadipate semialdehyde; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
orotidylic acid	[no description available]	low	0	0	pyrimidine ribonucleoside 5'-monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
beta-ureidoisobutyric acid	[no description available]	low	0	0	ureidocarboxylic acid	human metabolite; mouse metabolite
saicar	[no description available]	low	0	0	1-(phosphoribosyl)imidazolecarboxamide	Escherichia coli metabolite; mouse metabolite
kynurenine	[no description available]	low	0	0	amino acid zwitterion; kynurenine; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
thymidine 5'-diphosphate	[no description available]	low	0	0	pyrimidine 2'-deoxyribonucleoside 5'-diphosphate; thymidine phosphate	Escherichia coli metabolite; mouse metabolite
hydromethylthionine	[no description available]	low	0	0	aromatic amine; phenothiazines; tertiary amino compound	bacterial xenobiotic metabolite; fluorochrome; mouse metabolite; rat metabolite
5-hydroxykynuramine	[no description available]	low	0	0	hydroxykynurenamine; primary amino compound	mouse metabolite
sedoheptulose 1,7-bisphosphate	[no description available]	low	0	0	ketoheptose phosphate; sedoheptulose derivative	Escherichia coli metabolite; mouse metabolite
sedoheptulose 7-phosphate	[no description available]	low	0	0	ketoheptose phosphate; sedoheptulose derivative	Escherichia coli metabolite; human metabolite; mouse metabolite
thiocysteine	[no description available]	low	0	0	amino acid zwitterion; S-substituted L-cysteine	human metabolite; mouse metabolite
diadenosine triphosphate	[no description available]	low	0	0	diadenosyl triphosphate	mouse metabolite
carboxyaminoimidazole ribotide	[no description available]	low	0	0	1-(phosphoribosyl)imidazole; aminoimidazole; imidazole-4-carboxylic acid	Escherichia coli metabolite; mouse metabolite
isovaleryl-coenzyme a	[no description available]	low	0	0	methylbutanoyl-CoA; short-chain fatty acyl-CoA	mouse metabolite
lauroyl-coenzyme a	[no description available]	low	0	0	medium-chain fatty acyl-CoA	Escherichia coli metabolite; mouse metabolite
nicotinic acid adenine dinucleotide	[no description available]	low	0	0	nicotinic acid dinucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
4,4-dimethyl-5-alpha-cholesta-(8,24)-dien-3-beta-ol	[no description available]	low	0	0	3beta-sterol	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
phenylacetyl-coenzyme a	[no description available]	low	0	0	acyl-CoA	Escherichia coli metabolite; metabolite; mouse metabolite
5-formamidoimidazole-4-carboxamide ribotide	[no description available]	low	0	0	1-(phosphoribosyl)imidazolecarboxamide	Escherichia coli metabolite; mouse metabolite
biotin	[no description available]	low	0	0	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
campesterol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C28-steroid; phytosterols	mouse metabolite
2'-deoxyadenosine triphosphate	[no description available]	low	0	0	2'-deoxyadenosine 5'-phosphate; purine 2'-deoxyribonucleoside 5'-diphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
cholestane-3,7,12,26-tetrol	[no description available]	low	0	0	12alpha-hydroxy steroid; 26-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid	human metabolite; mouse metabolite
gamma-glutamyl phosphate	[no description available]	low	0	0	gamma-glutamyl phosphate	Escherichia coli metabolite; mouse metabolite
5-amino-6-ribitylamino-2,4-(1h,3h)pyrimidinedione	[no description available]	low	0	0	aminouracil; hydroxypyrimidine	Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
cholic acid	[no description available]	low	0	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
androstane-3,17-dione, (5alpha)-isomer	[no description available]	low	0	0	3-oxo-5alpha-steroid; androstane-3,17-dione	mouse metabolite
cholesteryl palmitate	[no description available]	low	0	0	cholesteryl ester	human metabolite; mouse metabolite
21-hydroxypregnenolone	[no description available]	low	0	0	21-hydroxy steroid; hydroxypregnenolone; primary alpha-hydroxy ketone	mouse metabolite
2-hydroxyestradiol	[no description available]	low	0	0	17beta-hydroxy steroid; 2-hydroxy steroid	carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug
5-hydroxyisourate	[no description available]	low	0	0	oxopurine	human metabolite; mouse metabolite
19-hydroxy-4-androstene-3,17-dione	[no description available]	low	0	0	17-oxo steroid; 19-hydroxy steroid; 3-oxo steroid; androstanoid	mouse metabolite
taurochenodeoxycholic acid	[no description available]	low	0	0	bile acid taurine conjugate	human metabolite; mouse metabolite
glyceraldehyde 3-phosphate	[no description available]	low	0	0	glyceraldehyde 3-phosphate	mouse metabolite
5'-methylthioadenosine	[no description available]	low	0	0	thioadenosine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
5'-deoxyadenosine	[no description available]	low	0	0	5'-deoxyribonucleoside; adenosines	Escherichia coli metabolite; human metabolite; mouse metabolite
ribulose 5-phosphate	[no description available]	low	0	0	ribulose 5-phosphate	mouse metabolite
xylulose-5-phosphate, (d)-isomer	[no description available]	low	0	0	xylulose 5-phosphate	Escherichia coli metabolite; mouse metabolite
glycerate 1,3-biphosphate	[no description available]	low	0	0	2,3-bisphosphoglyceric acid; acyl monophosphate	Escherichia coli metabolite; mouse metabolite
isomaltose	[no description available]	low	0	0	glycosylglucose	human metabolite; metabolite; mouse metabolite
arabinose	[no description available]	low	0	0	L-arabinose	Escherichia coli metabolite; mouse metabolite
n-acetylneuraminic acid	[no description available]	low	0	0	N-acetylneuraminic acids	antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite
glucosamine	[no description available]	low	0	0	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
carnosine	[no description available]	low	0	0	amino acid zwitterion; dipeptide	anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent
xanthosine 5'-triphosphate	[no description available]	low	0	0	purine ribonucleoside 5'-triphosphate; xanthosine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
dopaquinone	[no description available]	low	0	0	1,2-benzoquinones; amino acid zwitterion; L-phenylalanine derivative	human metabolite; mouse metabolite
pantetheine	[no description available]	low	0	0	pantetheines; thiol	human metabolite; metabolite; mouse metabolite
galactose	[no description available]	low	0	0	D-galactopyranose	epitope; mouse metabolite
galactose	[no description available]	low	0	0	D-galactopyranose	mouse metabolite
s-adenosyl-3-methylthiopropylamine	[no description available]	low	0	0	adenosines; sulfonium compound	Escherichia coli metabolite; human urinary metabolite; mouse metabolite; rat metabolite
5-diphosphomevalonic acid	[no description available]	low	0	0	carboxyalkyl phosphate	human metabolite; mouse metabolite
7-dehydrocholesterol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; cholestanoid; Delta(5),Delta(7)-sterol	human metabolite; mouse metabolite
6-phosphonoglucono-delta-lactone	[no description available]	low	0	0	aldonolactone phosphate	Escherichia coli metabolite; mouse metabolite
inositol 1,4,5-trisphosphate	[no description available]	low	0	0	myo-inositol trisphosphate	mouse metabolite
desmosterol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C27-steroid; cholestanoid	human metabolite; mouse metabolite
n'-formylkynurenine	[no description available]	low	0	0	amino acid zwitterion; N-formylkynurenine; non-proteinogenic amino acid derivative; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
ketodihydrosphingosine	[no description available]	low	0	0	2-amino-1-hydroxyoctadecan-3-one	mouse metabolite
nicotinamide-beta-riboside	[no description available]	low	0	0	N-glycosylnicotinamide; pyridine nucleoside	geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
4-hydroxyphenylacetaldehyde	[no description available]	low	0	0	alpha-CH2-containing aldehyde; phenylacetaldehydes	Escherichia coli metabolite; human metabolite; mouse metabolite
androstane-3,17-dione, (5beta)-isomer	[no description available]	low	0	0	3-oxo-5beta-steroid; androstane-3,17-dione	mouse metabolite
trimethyllysine	[no description available]	low	0	0	alpha-amino-acid cation	human metabolite; mouse metabolite
inositol 3,4-bisphosphate	[no description available]	low	0	0	myo-inositol bisphosphate	human metabolite; mouse metabolite
n-acetylglucosamine-1-phosphate	[no description available]	low	0	0	N-acetyl-D-glucosamine 1-phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
pantothenylcysteine 4'-phosphate	[no description available]	low	0	0	L-cysteine derivative	Escherichia coli metabolite; mouse metabolite
24,25-dihydrolanosterol	[no description available]	low	0	0	3beta-sterol; tetracyclic triterpenoid	human metabolite; mouse metabolite
2-methoxyestrone	[no description available]	low	0	0	17-oxo steroid; 3-hydroxy steroid; alicyclic ketone; aromatic ether; phenolic steroid; phenols	human metabolite; mouse metabolite
dehydroascorbic acid	[no description available]	low	0	0	dehydroascorbic acid; vitamin C	coenzyme; mouse metabolite
estradiol-3-glucuronide	[no description available]	low	0	0	17beta-hydroxy steroid; beta-D-glucosiduronic acid; steroid glucosiduronic acid	human metabolite; mouse metabolite
beta-sulfopyruvic acid	[no description available]	low	0	0	carboxyalkanesulfonic acid	mouse metabolite
acetyl adenylate	[no description available]	low	0	0	5'-acylphosphoadenosin	human metabolite; mouse metabolite
2-hydroxypropylphosphonic acid	[no description available]	low	0	0	phosphonic acids; secondary alcohol	mouse metabolite
4,4-dimethylcholesta-8,14,24-trienol	[no description available]	low	0	0	3beta-sterol; Delta(14) steroid	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
inositol-1,4,5,6-tetrakisphosphate	[no description available]	low	0	0	myo-inositol tetrakisphosphate	mouse metabolite
dephosphocoenzyme a	[no description available]	low	0	0	adenosine 5'-phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
n(1)-(5-phosphoribosyl)-5,6-dimethylbenzimidazole	[no description available]	low	0	0	1-ribosylbenzimidazole; dimethylbenzimidazole; ribose monophosphate	Escherichia coli metabolite; mouse metabolite
prostaglandin h2	[no description available]	low	0	0	olefinic compound; oxylipin; prostaglandins H; secondary alcohol	mouse metabolite
3-hydroxy-3-methylglutaryl-coenzyme a	[no description available]	low	0	0	3-hydroxy-3-methylglutaryl-CoA; 3-hydroxy fatty acyl-CoA	human metabolite; mouse metabolite
docosahexaenoate	[no description available]	low	0	0	docosahexaenoic acid; omega-3 fatty acid	algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical
farnesyl pyrophosphate	[no description available]	low	0	0	farnesyl diphosphate	Escherichia coli metabolite; mouse metabolite
geranyl pyrophosphate	[no description available]	low	0	0	polyprenyl diphosphate	Escherichia coli metabolite; mouse metabolite
1,5-dihydro-fad	[no description available]	low	0	0	flavin adenine dinucleotide	Escherichia coli metabolite; mouse metabolite
eicosapentaenoic acid	[no description available]	low	0	0	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical
s-hydroxymethylglutathione	[no description available]	low	0	0	S-substituted glutathione	Escherichia coli metabolite; mouse metabolite
geranylgeranyl pyrophosphate	[no description available]	low	0	0	geranylgeranyl diphosphate	mouse metabolite
cytidine monophosphate n-acetylneuraminic acid	[no description available]	low	0	0	CMP-N-acyl-beta-neuraminic acid	mouse metabolite
prostaglandin d2	[no description available]	low	0	0	prostaglandins D	human metabolite; mouse metabolite
hexanoyl-coenzyme a	[no description available]	low	0	0	medium-chain fatty acyl-CoA	Escherichia coli metabolite; human metabolite; mouse metabolite
4-phosphoerythronate	[no description available]	low	0	0	4-phosphoerythronic acid	Escherichia coli metabolite; mouse metabolite
colfosceril palmitate	[no description available]	low	0	0	1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine; phosphatidylcholine 32:0	mouse metabolite; surfactant
lyso-pc	[no description available]	low	0	0	1-O-acyl-sn-glycero-3-phosphocholine; lysophosphatidylcholine 16:0	mouse metabolite
retinaldehyde	[no description available]	low	0	0	retinal; vitamin A	gap junctional intercellular communication inhibitor; human metabolite; mouse metabolite
flavin-adenine dinucleotide	[no description available]	low	0	0	flavin adenine dinucleotide; vitamin B2	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; prosthetic group
flavin mononucleotide	[no description available]	low	0	0	flavin mononucleotide; vitamin B2	bacterial metabolite; coenzyme; cofactor; human metabolite; mouse metabolite
3-hydroxybutyryl-coenzyme a	[no description available]	low	0	0	3-hydroxyacyl-CoA; hydroxybutanoyl-CoA	mouse metabolite
malonyl coenzyme a	[no description available]	low	0	0	malonyl-CoAs	EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor; Escherichia coli metabolite; metabolite; mouse metabolite
palmitoyl coenzyme a	[no description available]	low	0	0	11,12-saturated fatty acyl-CoA; 3-substituted propionyl-CoA; long-chain fatty acyl-CoA; palmitoyl bioconjugate	Escherichia coli metabolite; mouse metabolite
dihydrosphingosine 1-phosphate	[no description available]	low	0	0	sphingoid 1-phosphate	mouse metabolite
glycerylphosphorylcholine	[no description available]	low	0	0	phosphocholines; sn-glycerol 3-phosphates	Escherichia coli metabolite; human metabolite; mouse metabolite; neuroprotective agent; parasympatholytic; Saccharomyces cerevisiae metabolite
estrone sulfate	[no description available]	low	0	0	17-oxo steroid; steroid sulfate	human metabolite; mouse metabolite
raphanusamic acid	[no description available]	low	0	0	thiazolidinemonocarboxylic acid	Arabidopsis thaliana metabolite; mouse metabolite; xenobiotic metabolite
isobutyryl-coenzyme a	[no description available]	low	0	0	methyl-branched fatty acyl-CoA; short-chain fatty acyl-CoA	human metabolite; mouse metabolite
dihydroxycoprostane	[no description available]	low	0	0	3alpha-hydroxy steroid; 7alpha-hydroxy steroid	human metabolite; mouse metabolite
glutaryl-coenzyme a	[no description available]	low	0	0	glutaryl-CoAs	mouse metabolite
11-cis-retinal	[no description available]	low	0	0	retinal	chromophore; human metabolite; mouse metabolite
leukotriene c4	[no description available]	low	0	0	leukotriene	bronchoconstrictor agent; human metabolite; mouse metabolite
15-hydroxy-5,8,11,13-eicosatetraenoic acid	[no description available]	low	0	0	(5Z,8Z,11Z,13E)-15-HETE	human metabolite; mouse metabolite
5-hydroxy-6,8,11,14-eicosatetraenoic acid	[no description available]	low	0	0	HETE	human metabolite; mouse metabolite
arachidonic acid 5-hydroperoxide	[no description available]	low	0	0	5-HPETE	mouse metabolite
leukotriene d4	[no description available]	low	0	0	dipeptide; leukotriene; organic sulfide	bronchoconstrictor agent; human metabolite; mouse metabolite
prostaglandin g2	[no description available]	low	0	0	prostaglandins G	human metabolite; mouse metabolite
arachidonic acid omega-9 hydroperoxide	[no description available]	low	0	0	HPETE	mouse metabolite
15-hydroperoxy-5,8,11,13-eicosatetraenoic acid, (s)-(e,z,z,z)-isomer	[no description available]	low	0	0	15-HPETE	mouse metabolite
alpha-linolenic acid	[no description available]	low	0	0	linolenic acid; omega-3 fatty acid	micronutrient; mouse metabolite; nutraceutical
1-palmitoyl-2-oleoyl-sn-glycerol	[no description available]	low	0	0	1,2-diacyl-sn-glycerol; 1-palmitoyl-2-oleoylglycerol	mouse metabolite
epoprostenol	[no description available]	low	0	0	prostaglandins I	mouse metabolite
thromboxane b3	[no description available]	low	0	0	thromboxanes B	human metabolite; mouse metabolite
11,12-dihydroxyeicosatrienoic acid	[no description available]	low	0	0	DHET	mouse metabolite
14,15-dihydroxyeicosatrienoic acid	[no description available]	low	0	0	DHET; diol; secondary allylic alcohol	mouse metabolite
20-hydroxy-5,8,11,14-eicosatetraenoic acid	[no description available]	low	0	0	HETE; hydroxy monocarboxylic acid	human metabolite; mouse metabolite
5-oxo-6,8,11,14-eicosatetraenoic acid	[no description available]	low	0	0	oxoicosatetraenoic acid	human metabolite; immunomodulator; mouse metabolite
5,6-epoxy-8,11,14-eicosatrienoic acid	[no description available]	low	0	0	EET	mouse metabolite
8,9-epoxyeicosatrienoic acid	[no description available]	low	0	0	EET	mouse metabolite
1-palmitoyl-2-oleoylphosphatidylethanolamine, (z & r)-isomer	[no description available]	low	0	0	1,2-diacyl-sn-glycero-3-phosphoethanolamine; phosphatidylethanolamine 34:1 zwitterion; phosphatidylethanolamine	mouse metabolite
cholesteryl oleate	[no description available]	low	0	0	CE(18:1); cholesteryl octadec-9-enoate	mouse metabolite
calcifediol	[no description available]	low	0	0	D3 vitamins; diol; hydroxycalciol	bone density conservation agent; human metabolite; metabolite; mouse metabolite; nutraceutical
hyodeoxycholic acid	[no description available]	low	0	0	5beta-cholanic acids; 6alpha,20xi-murideoxycholic acid; bile acid; C24-steroid	human metabolite; mouse metabolite
cerium	[no description available]	low	0	0	CE(18:2); cholesteryl octadeca-9,12-dienoate	human metabolite; mouse metabolite
xylulose	[no description available]	low	0	0	xylulose	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
11-dehydrocorticosterone	[no description available]	low	0	0	11-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
trilinolein	[no description available]	low	0	0	1,2-diacyl-3-linoleoylglycerol; 1,3-diacyl-2-linoleoylglycerol; linoleoyl containing 1,2,3-triacyl-sn-glycerol; TG(18:2/18:2/18:2); triglyceride	mouse metabolite
dimyristoylphosphatidylcholine	[no description available]	low	0	0	1,2-diacyl-sn-glycero-3-phosphocholine; phosphatidylcholine 28:0; tetradecanoate ester	antigen; mouse metabolite
2,3-oxidosqualene	[no description available]	low	0	0	2,3-epoxysqualene	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
deoxyribose	[no description available]	low	0	0	deoxypentose	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
monodehydroascorbate	[no description available]	low	0	0	organic radical	mouse metabolite
oleoyl-coenzyme a	[no description available]	low	0	0	octadecenoyl-CoA	Escherichia coli metabolite; mouse metabolite
vitamin a2	[no description available]	low	0	0	retinoid; vitamin A	human xenobiotic metabolite; marine xenobiotic metabolite; mouse metabolite
1,2-dioleoylphosphatidylserine	[no description available]	low	0	0	phosphatidylserine(18:1/18:1)	mouse metabolite
5-hydroxy-6,8,11,14,17-eicosapentaenoic acid	[no description available]	low	0	0	HEPE	mouse metabolite
1-stearoyl-2-linoleoylphosphatidylcholine	[no description available]	low	0	0	phosphatidylcholine 36:2	mouse metabolite
1-stearoyl-2-linoleoyl-sn-glycerol	[no description available]	low	0	0	1,2-diacyl-sn-glycerol; diacylglycerol 36:2	mouse metabolite
1-palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine	[no description available]	low	0	0	phosphatidylcholine 38:6	mouse metabolite
13(S)-HODE	[no description available]	low	0	0	HODE	antineoplastic agent; human xenobiotic metabolite; mouse metabolite
1-stearoyl-2-oleoyl-sn-glycerol	[no description available]	low	0	0	1,2-diacyl-sn-glycerol; 1-stearoyl-2-oleoylglycerol; diacylglycerol 36:1	mouse metabolite
1-palmitoyl-2-palmitoleoyl-sn-glycero-3-phosphocholine	[no description available]	low	0	0	1-acyl-2-palmitoleoyl-sn-glycero-3-phosphocholine; phosphatidylcholine 32:1	mouse metabolite
13-oxo-9,11-octadecadienoic acid	[no description available]	low	0	0	13-oxo-9,11-octadecadienoic acid	metabolite; mouse metabolite
n-stearoylsphingomyelin	[no description available]	low	0	0	sphingomyelin 36:1; sphingomyelin d18:1	mouse metabolite
20,22-dihydroxycholesterol	[no description available]	low	0	0	20-hydroxy steroid; 22-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; cholestanoid; oxysterol	human metabolite; mouse metabolite
cholesteryl arachidonate	[no description available]	low	0	0	cholesteryl icosatetraenoate	antibacterial agent; mouse metabolite
acryloyl-coenzyme a	[no description available]	low	0	0	2-enoyl-CoA; monounsaturated fatty acyl-CoA	mouse metabolite
samarium	[no description available]	low	0	0	sphingomyelin d18:1/16:0	mouse metabolite
n-palmitoylgalactosylsphingosine	[no description available]	low	0	0	HexCer(d18:1/16:0); N-acyl-beta-D-galactosylsphingosine	mouse metabolite
palmitoylcarnitine	[no description available]	low	0	0	O-palmitoylcarnitine; saturated fatty acyl-L-carnitine	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; human metabolite; mouse metabolite
s-tetradecanoyl-coenzyme a	[no description available]	low	0	0	11,12-saturated fatty acyl-CoA; long-chain fatty acyl-CoA	Escherichia coli metabolite; mouse metabolite
prosomatostatin	[no description available]	low	0	0	heterodetic cyclic peptide; peptide hormone	fungal metabolite; mouse metabolite; rat metabolite
phosphatidylcholines	[no description available]	low	0	0	phosphatidylcholine 40:6	mouse metabolite
2-ketoarginine	[no description available]	low	0	0	2-oxo monocarboxylic acid; zwitterion	human metabolite; mouse metabolite
cyclosporine	[no description available]	low	0	0	keto-disaccharide	mouse metabolite
g(m3) ganglioside	[no description available]	low	0	0	alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide; sialodiosylceramide; sialotriaosylceramide	mouse metabolite
diguanosine tetraphosphate	[no description available]	low	0	0	guanosine 5'-phosphate; purine ribonucleoside 5'-tetraphosphate	Escherichia coli metabolite; mouse metabolite
deoxyguanosine	[no description available]	low	0	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
2'-deoxyguanosine 5'-phosphate	[no description available]	low	0	0	deoxyguanosine phosphate; guanyl deoxyribonucleotide; purine 2'-deoxyribonucleoside 5'-monophosphate	Escherichia coli metabolite; mouse metabolite
7,8-dihydroneopterin	[no description available]	low	0	0	dihydropterin; neopterins	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
dihydrofolate	[no description available]	low	0	0	dihydrofolic acids	Escherichia coli metabolite; mouse metabolite
dihydroneopterin triphosphate	[no description available]	low	0	0	dihydropterin; neopterins; pterin phosphate	Escherichia coli metabolite; mouse metabolite
deoxyinosine monophosphate	[no description available]	low	0	0	deoxyinosine phosphate; purine 2'-deoxyribonucleoside 5'-monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
2'-deoxyinosine triphosphate	[no description available]	low	0	0	deoxyinosine phosphate; purine 2'-deoxyribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite
guanosine diphosphate	[no description available]	low	0	0	guanosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
gdp-4-keto-6-deoxymannose	[no description available]	low	0	0	GDP-sugar	Escherichia coli metabolite; mouse metabolite
guanosine pentaphosphate	[no description available]	low	0	0	guanosine 5'-phosphate; guanosine bisphosphate	Escherichia coli metabolite; mouse metabolite
guanosine monophosphate	[no description available]	low	0	0	guanosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	biomarker; Escherichia coli metabolite; metabolite; mouse metabolite
guanosine triphosphate	[no description available]	low	0	0	guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
guanosine tetraphosphate	[no description available]	low	0	0	guanosine bisphosphate	Escherichia coli metabolite; mouse metabolite
inosine triphosphate	[no description available]	low	0	0	inosine phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
dyspropterin	[no description available]	low	0	0	biopterins; tetrahydropterin	human metabolite; metabolite; mouse metabolite
leucovorin	[no description available]	low	0	0	formyltetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
5,10-methenyltetrahydrofolate	[no description available]	low	0	0	methylenetetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
10-formyltetrahydrofolate	[no description available]	low	0	0	formyltetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
lisofylline	[no description available]	low	0	0	dimethylxanthine; secondary alcohol

Article	Year
New framework for a non-animal approach adequately assures the safety of cosmetic ingredients - A case study on caffeine. Regulatory toxicology and pharmacology : RTP, Volume: 123	2021
Sub-chronic and chronic toxicity evaluation of 7-methylxanthine: a new molecule for the treatment of myopia. Drug and chemical toxicology, Volume: 45, Issue: 3	2022
Nutritional value and safety of animal feed supplemented with Talaromyces verruculosus-treated cocoa pod husks. Scientific reports, 08-04, Volume: 10, Issue: 1	2020
Determination of the Antiproliferative Activity of New Theobromine Derivatives and Evaluation of Their In Vitro Hepatotoxic Effects. Anti-cancer agents in medicinal chemistry, Volume: 16, Issue: 7	2016
De-intercalation of ethidium bromide and acridine orange by xanthine derivatives and their modulatory effect on anticancer agents: a study of DNA-directed toxicity enlightened by time correlated single photon counting. Journal of biomolecular structure & dynamics, Volume: 20, Issue: 5	2003
Collaborative work to evaluate toxicity on male reproductive organs by repeated dose studies in rats 22). Effects of 2- and 4-week administration of theobromine on the testis. The Journal of toxicological sciences, Volume: 25 Spec No	2000
Mutagenic and genotoxic effects of theophylline and theobromine in Salmonella assay and in vivo sister chromatid exchanges in bone marrow cells of mice. Mutation research, Jul-21, Volume: 444, Issue: 1	1999
[Effects of methylxanthine derivatives on antitumor activity and toxic side effect of adriamycin induced by inhibition of DNA biosynthesis]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan, Volume: 118, Issue: 5	1998
Evaluation of the toxicity of guarana with in vitro bioassays. Ecotoxicology and environmental safety, Volume: 39, Issue: 3	1998
Neurotoxicity in organotypic hippocampal slices mediated by adenosine analogues and nitric oxide. Brain research, Jul-11, Volume: 762, Issue: 1-2	1997
Enhancement of the behavioral toxicity induced by combined administration of ethanol with methylxanthines: evaluation by discrete avoidance in mice. The Journal of toxicological sciences, Volume: 18, Issue: 2	1993
Theobromine toxicity on Sertoli cells and comparison with cocoa extract in male rats. Toxicology letters, Feb-01, Volume: 70, Issue: 2	1994
Toxicity of jimson weed seed and cocoa shell meal to broilers. Poultry science, Volume: 63, Issue: 3	1984
Diet-induced alterations in theobromine disposition and toxicity in the rat. Toxicology and applied pharmacology, Volume: 84, Issue: 3	1986
Evaluation of the genotoxicity of theobromine and caffeine. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 25, Issue: 3	1987
Methylxanthines: toxicity to humans. 3. Theobromine, paraxanthine and the combined effects of methylxanthines. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 26, Issue: 8	1988
Efficacy and safety of pentoxifylline in geriatric patients with intermittent claudication. Angiology, Volume: 40, Issue: 9	1989
Prevention of cyclosporine-induced nephrotoxicity with pentoxifylline. Renal failure, Volume: 11, Issue: 2-3	1989
Pentoxifylline in amphotericin B toxicity rat model. Antimicrobial agents and chemotherapy, Volume: 34, Issue: 2	1990
Effect of methylxanthines on acetaminophen hepatotoxicity in various induction states. The Journal of pharmacology and experimental therapeutics, Volume: 252, Issue: 1	1990
Effectiveness and side effects of two different doses of caffeine in preventing apnea in premature infants. Therapeutic drug monitoring, Volume: 14, Issue: 1	1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Chronic administration of theobromine inhibits mTOR signal in rats. Basic & clinical pharmacology & toxicology, Volume: 124, Issue: 5	2019
An herbal supplement containing Ma Huang-Guarana for weight loss: a randomized, double-blind trial. International journal of obesity and related metabolic disorders : journal of the International Association for the Study of Obesity, Volume: 25, Issue: 3	2001
Effect of pentoxifylline on cerebral blood flow in patients with chronic cerebrovascular disease. The Journal of international medical research, Volume: 9, Issue: 3	1981
Comparative randomized study of cerebral blood flow after long-term administration of pentoxifylline and co-dergocrine mesylate in patients with chronic cerebrovascular disease. Current medical research and opinion, Volume: 9, Issue: 7	1985
Surprising effects of the sequential administration of pentoxifylline and low dose acetylsalicylic acid on thrombus formation. Thrombosis research, Apr-15, Volume: 46, Issue: 2	1987
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Pregnancy-induced changes in the pharmacokinetics of caffeine and its metabolites. Journal of clinical pharmacology, Volume: 56, Issue: 5	2016
Pharmacokinetics and metabolism of natural methylxanthines in animal and man. Handbook of experimental pharmacology, Issue: 200	2011
Characterization of the potency, selectivity, and pharmacokinetic profile for six adenosine A2A receptor antagonists. Naunyn-Schmiedeberg's archives of pharmacology, Volume: 375, Issue: 2	2007
Population pharmacokinetics of caffeine and its metabolites theobromine, paraxanthine and theophylline after inhalation in combination with diacetylmorphine. Basic & clinical pharmacology & toxicology, Volume: 96, Issue: 1	2005
Uncertainty factors for chemical risk assessment. human variability in the pharmacokinetics of CYP1A2 probe substrates. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 39, Issue: 7	2001
The pharmacokinetics, metabolism and urinary detection time of caffeine in camels. Research in veterinary science, Volume: 69, Issue: 1	2000
Comparative pharmacokinetics of caffeine and three metabolites in clinically normal horses and donkeys. American journal of veterinary research, Volume: 58, Issue: 8	1997
Pharmacokinetics of caffeine in the oestrogen-implanted ovariectomized ewe. Journal of veterinary pharmacology and therapeutics, Volume: 19, Issue: 2	1996
The pharmacokinetics of oxpentifylline in man when administered by constant intravenous infusion. European journal of clinical pharmacology, Volume: 23, Issue: 6	1982
Theobromine metabolism and pharmacokinetics in pregnant and nonpregnant Sprague-Dawley rats. Toxicology and applied pharmacology, Mar-15, Volume: 67, Issue: 3	1983
Pharmacokinetics of theobromine in male rats in different traumatic conditions. Research communications in chemical pathology and pharmacology, Volume: 50, Issue: 1	1985
The bronchodilator effect and pharmacokinetics of theobromine in young patients with asthma. The Journal of allergy and clinical immunology, Volume: 76, Issue: 5	1985
Studies on methyl-xanthines in intact and hypophysectomised rats: differences in pharmacokinetics and adrenocortical response. Life sciences, Sep-30, Volume: 37, Issue: 13	1985
Pharmacokinetics of theobromine and its metabolites in rabbits. Journal of pharmacokinetics and biopharmaceutics, Volume: 13, Issue: 1	1985
The effect of caffeine ingestion on pharmacokinetics of caffeine and its metabolites after a single administration in pregnant rats. Journal of pharmacobio-dynamics, Volume: 8, Issue: 3	1985
Inhibition of pentoxifylline clearance by cimetidine. Journal of pharmaceutical sciences, Volume: 75, Issue: 2	1986
Pharmacokinetics of orally administered pentoxifylline in humans. Journal of pharmaceutical sciences, Volume: 75, Issue: 1	1986
Lack of pharmacodynamic interaction between pentoxifylline and warfarin in the rat. Research communications in chemical pathology and pharmacology, Volume: 54, Issue: 1	1986
Quantitative assessment of caffeine partial clearances in man. British journal of clinical pharmacology, Volume: 22, Issue: 2	1986
Comparative pharmacokinetics of caffeine and its primary demethylated metabolites paraxanthine, theobromine and theophylline in man. British journal of clinical pharmacology, Volume: 22, Issue: 2	1986
Comparative pharmacokinetic analysis of novel sustained-release dosage forms of pentoxifylline in healthy subjects. International journal of clinical pharmacology, therapy, and toxicology, Volume: 26, Issue: 4	1988
Alteration of pentoxifylline pharmacokinetics by cimetidine. Journal of clinical pharmacology, Volume: 28, Issue: 7	1988
Metabolism and pharmacokinetics of 14C-pentoxifylline in healthy volunteers. Arzneimittel-Forschung, Volume: 39, Issue: 4	1989
The pharmacokinetics of caffeine and its dimethylxanthine metabolites in patients with chronic liver disease. British journal of clinical pharmacology, Volume: 27, Issue: 2	1989
Efficacy, toxicity, and pharmacokinetics of pentoxifylline and its analogs in experimental Staphylococcus aureus infections. Antimicrobial agents and chemotherapy, Volume: 34, Issue: 6	1990
The effect of methylxanthines on milk volume and composition, and growth of rat pups. The British journal of nutrition, Volume: 64, Issue: 2	1990
Pharmacokinetics of intravenous and oral pentoxifylline in healthy volunteers and in cirrhotic patients. Clinical pharmacology and therapeutics, Volume: 47, Issue: 3	1990
Extracellular 2-chloroadenosine and ATP stimulate volume-sensitive Cl- current and calcium mobilization in human tracheal 9HTEo- cells. FEBS letters, Jun-08, Volume: 304, Issue: 1	1992
[Investigations on the pharmacokinetics of pentoxifylline in chronic renal failure (authors transl)]. Medizinische Klinik, Feb-11, Volume: 72, Issue: 6	1977
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Flavan-3-ol-methylxanthine interactions: Modulation of flavan-3-ol bioavailability in volunteers with a functional colon and an ileostomy. Free radical biology & medicine, 02-20, Volume: 196	2023
Protective effect of guarana-loaded liposomes on hemolytic activity. Colloids and surfaces. B, Biointerfaces, Volume: 187	2020
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology, Volume: 96, Issue: 5	2019
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens. The Journal of biological chemistry, 11-15, Volume: 294, Issue: 46	2019
The cardiovascular benefits of dark chocolate. Vascular pharmacology, Volume: 71	2015
Cocoa and human health. Annual review of nutrition, Volume: 33	2013
Cocrystals of quercetin with improved solubility and oral bioavailability. Molecular pharmaceutics, Oct-03, Volume: 8, Issue: 5	2011
Antihypertensive effect of a polyphenol-rich cocoa powder industrially processed to preserve the original flavonoids of the cocoa beans. Journal of agricultural and food chemistry, Jul-22, Volume: 57, Issue: 14	2009
Characterization of the potency, selectivity, and pharmacokinetic profile for six adenosine A2A receptor antagonists. Naunyn-Schmiedeberg's archives of pharmacology, Volume: 375, Issue: 2	2007
Population pharmacokinetics of caffeine and its metabolites theobromine, paraxanthine and theophylline after inhalation in combination with diacetylmorphine. Basic & clinical pharmacology & toxicology, Volume: 96, Issue: 1	2005
Uncertainty factors for chemical risk assessment: interspecies differences in the in vivo pharmacokinetics and metabolism of human CYP1A2 substrates. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 39, Issue: 7	2001
Absorption rate of methylxanthines following capsules, cola and chocolate. European journal of clinical pharmacology, Volume: 51, Issue: 3-4	1996
Kinetics and metabolism of theobromine in male and female non-pregnant and pregnant rabbits. Toxicology, Apr-16, Volume: 30, Issue: 4	1984
Kinetics and metabolism of theobromine in male rats. Toxicology, Apr-16, Volume: 30, Issue: 4	1984
High levels of methylxanthines in chocolate do not alter theobromine disposition. Clinical pharmacology and therapeutics, Volume: 37, Issue: 4	1985
Kinetics of intravenous and oral pentoxifylline in healthy subjects. Clinical pharmacology and therapeutics, Volume: 37, Issue: 1	1985
Diet-induced alterations in theobromine disposition and toxicity in the rat. Toxicology and applied pharmacology, Volume: 84, Issue: 3	1986
Comparative pharmacokinetic analysis of novel sustained-release dosage forms of pentoxifylline in healthy subjects. International journal of clinical pharmacology, therapy, and toxicology, Volume: 26, Issue: 4	1988
Pharmacokinetics of intravenous and oral pentoxifylline in healthy volunteers and in cirrhotic patients. Clinical pharmacology and therapeutics, Volume: 47, Issue: 3	1990
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Correlation between dietary theobromine intake and low cognitive performance in older adults in the United States: A cross-sectional study based on the National Health and Nutrition Examination Survey. Asia Pacific journal of clinical nutrition, Volume: 32, Issue: 1	2023
The effects of fluoride, strontium, theobromine and their combinations on caries lesion rehardening and fluoridation. Archives of oral biology, Volume: 80	2017
Simultaneous multiplexed quantification of caffeine and its major metabolites theobromine and paraxanthine using surface-enhanced Raman scattering. Analytical and bioanalytical chemistry, Volume: 407, Issue: 27	2015
Flavan-3-ols, theobromine, and the effects of cocoa and chocolate on cardiometabolic risk factors. Current opinion in lipidology, Volume: 26, Issue: 1	2015
[Rapid determination of theophylline, theobromine and caffeine in dietary supplements containing guarana by ultra-performance liquid chromatography]. Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan, Volume: 50, Issue: 6	2009
Identification of paraxanthine as the most potent caffeine-derived inhibitor of connective tissue growth factor expression in liver parenchymal cells. Liver international : official journal of the International Association for the Study of the Liver, Volume: 29, Issue: 6	2009
Urinary excretion of dietary contaminants in horses. Equine veterinary journal. Supplement, Issue: 36	2006
MUTATIONAL SYNERGISM BETWEEN RADIATIONS AND METHYLATED PURINES IN ESCHERICHIA COLI. Journal of bacteriology, Volume: 87	1964
Endogenous adenosine prevents post-tetanic release facilitation mediated by alpha3beta2 nicotinic autoreceptors. European journal of pharmacology, Mar-19, Volume: 464, Issue: 2-3	2003
Uncertainty factors for chemical risk assessment. human variability in the pharmacokinetics of CYP1A2 probe substrates. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 39, Issue: 7	2001
Collaborative work to evaluate toxicity on male reproductive organs by repeated dose studies in rats 22). Effects of 2- and 4-week administration of theobromine on the testis. The Journal of toxicological sciences, Volume: 25 Spec No	2000
Comparison of the potency of adenosine as an agonist at human adenosine receptors expressed in Chinese hamster ovary cells. Biochemical pharmacology, Feb-15, Volume: 61, Issue: 4	2001
Biochemical and ultrastructural changes in rabbit sclera after treatment with 7-methylxanthine, theobromine, acetazolamide, or L-ornithine. The British journal of ophthalmology, Volume: 83, Issue: 12	1999
Does oxypentifylline reduce the intensity of acute graft-versus-host disease following allogeneic bone marrow transplantation? Haematologia, Volume: 28, Issue: 1	1996
Pharmacokinetics of caffeine in the oestrogen-implanted ovariectomized ewe. Journal of veterinary pharmacology and therapeutics, Volume: 19, Issue: 2	1996
Adenosine A2a receptors in the nucleus accumbens mediate locomotor depression. Brain research bulletin, Volume: 31, Issue: 3-4	1993
Accumulation of theophylline, theobromine and paraxanthine in the fetal rat brain following a single oral dose of caffeine. Brain research. Developmental brain research, Oct-15, Volume: 75, Issue: 2	1993
Adenosine stimulates human sperm motility via A2 receptors. The Journal of pharmacy and pharmacology, Volume: 45, Issue: 7	1993
Role of adenosine A2a receptors in the nucleus accumbens. Progress in neuro-psychopharmacology & biological psychiatry, Volume: 18, Issue: 3	1994
Effects of methylxanthines on urinary prostaglandin E excretion in rats. Japanese journal of pharmacology, Volume: 31, Issue: 2	1981
The pharmacokinetics of oxpentifylline in man when administered by constant intravenous infusion. European journal of clinical pharmacology, Volume: 23, Issue: 6	1982
[Trental forte in leg ulcer therapy. Result of a field study]. Zeitschrift fur Hautkrankheiten, Nov-01, Volume: 57, Issue: 21	1982
Genotoxicity of cocoa examined by microbial and mammalian systems. Mutation research, Volume: 103, Issue: 3-6	1982
Theobromine metabolism and pharmacokinetics in pregnant and nonpregnant Sprague-Dawley rats. Toxicology and applied pharmacology, Mar-15, Volume: 67, Issue: 3	1983
Placebo controlled double blind study with pentoxifylline of walking performance in patients with intermittent claudication. Angiology, Volume: 34, Issue: 1	1983
The toxicology of cocoa and methylxanthines: a review of the literature. Critical reviews in toxicology, Volume: 9, Issue: 4	1982
Kinetics and metabolism of theobromine in male and female non-pregnant and pregnant rabbits. Toxicology, Apr-16, Volume: 30, Issue: 4	1984
Comparison of the effectiveness of placebo, clomiphene citrate, mesterolone, pentoxifylline, and testosterone rebound therapy for the treatment of idiopathic oligospermia. Fertility and sterility, Volume: 40, Issue: 3	1983
Antineoplastic effect of the xanthine derivative Trental. Journal of medicine, Volume: 15, Issue: 5-6	1984
Effect of phosphodiesterase inhibitors on platelet aggregation and tumor metastasis. La Ricerca in clinica e in laboratorio, Volume: 11 Suppl 1	1981
Pharmacokinetics of theobromine in male rats in different traumatic conditions. Research communications in chemical pathology and pharmacology, Volume: 50, Issue: 1	1985
Diabetic retinal vascular complications and erythrocyte filtrability; results of a 2-year follow-up study with pentoxifylline. Pharmatherapeutica, Volume: 4, Issue: 6	1985
Comparison of the urinary metabolite profile of caffeine in young and elderly males. British journal of clinical pharmacology, Volume: 19, Issue: 2	1985
1H-2-Benzopyran-1-one derivatives, microbial products with pharmacological activity. Conversion into orally active derivatives with antiinflammatory and antiulcer activities. Journal of medicinal chemistry, Volume: 28, Issue: 1	1985
Kinetics of intravenous and oral pentoxifylline in healthy subjects. Clinical pharmacology and therapeutics, Volume: 37, Issue: 1	1985
Pharmacokinetics of orally administered pentoxifylline in humans. Journal of pharmaceutical sciences, Volume: 75, Issue: 1	1986
Warfarin versus dipyridamole-aspirin and pentoxifylline-aspirin for the prevention of prosthetic heart valve thromboembolism: a prospective randomized clinical trial. Circulation, Volume: 72, Issue: 5	1985
Pentoxifylline: a new agent for intermittent claudication. Drug intelligence & clinical pharmacy, Volume: 19, Issue: 5	1985
Beneficial results of pentoxifylline ('Trental') therapy in arteriosclerosis obliterans: possible mechanism of action. Current medical research and opinion, Volume: 9, Issue: 6	1985
Pentoxifylline does not interfere with stable coumarin anticoagulant therapy: a clinical study. Pharmatherapeutica, Volume: 4, Issue: 9	1986
Inherent differences in sensitivity to methylxanthines among inbred mice. Pharmacology, biochemistry, and behavior, Volume: 24, Issue: 5	1986
Results of clinical, laboratory and haemorheological investigations of the use of pentoxifylline in high doses. Pharmatherapeutica, Volume: 5, Issue: 1	1987
Pentoxifylline in end-stage renal disease. Drug intelligence & clinical pharmacy, Volume: 21, Issue: 12	1987
Comparative pharmacokinetic analysis of novel sustained-release dosage forms of pentoxifylline in healthy subjects. International journal of clinical pharmacology, therapy, and toxicology, Volume: 26, Issue: 4	1988
Pentoxifylline. A review of its pharmacodynamic and pharmacokinetic properties, and its therapeutic efficacy. Drugs, Volume: 34, Issue: 1	1987
On the assessment of the efficacy of pentoxifylline (Trental). Journal of medicine, Volume: 18, Issue: 1	1987
Alteration of pentoxifylline pharmacokinetics by cimetidine. Journal of clinical pharmacology, Volume: 28, Issue: 7	1988
Metabolism and pharmacokinetics of 14C-pentoxifylline in healthy volunteers. Arzneimittel-Forschung, Volume: 39, Issue: 4	1989
Urinary excretion of pentoxifylline and its metabolites by standardbred mares. Canadian journal of veterinary research = Revue canadienne de recherche veterinaire, Volume: 53, Issue: 2	1989
Efficacy and safety of pentoxifylline in geriatric patients with intermittent claudication. Angiology, Volume: 40, Issue: 9	1989
Prevention of cyclosporine-induced nephrotoxicity with pentoxifylline. Renal failure, Volume: 11, Issue: 2-3	1989
Dose-dependency of caffeine metabolism with repeated dosing. Clinical pharmacology and therapeutics, Volume: 48, Issue: 3	1990
Dose-response effects of pentoxifylline on erythrocyte filterability: clinical and animal model studies. Clinical pharmacology and therapeutics, Volume: 48, Issue: 1	1990
Override of the radiation-induced mitotic block in human tumour cells by methylxanthines and its relationship to the potentiation of cytotoxicity. International journal of radiation biology, Volume: 57, Issue: 6	1990
Reproductive toxicity of theobromine and cocoa extract in male rats. Reproductive toxicology (Elmsford, N.Y.), Volume: 6, Issue: 4	1992
A simple useful method for the determination of hepatic function in patients with liver cirrhosis using caffeine and its three major dimethylmetabolites. International journal of clinical pharmacology, therapy, and toxicology, Volume: 30, Issue: 9	1992
Quantitative determination of theophylline in pharmaceutical dosage forms by differential spectrophotometry. Journal of pharmaceutical sciences, Volume: 65, Issue: 8	1976
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

theobromine

Description

Cross-References

Synonyms (198)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (7)

Drug Classes (1)

Pathways (7)

Protein Targets (37)

Potency Measurements

Inhibition Measurements

Molecular Functions (1)

Ceullar Components (2)

Bioassays (73)

Research

Studies (1,745)

Study Types

Clinical Trials (13)

Trial Overview

Research Highlights

Safety/Toxicity (21)

Long-term Use (5)

Pharmacokinetics (31)

Bioavailability (20)

Dosage (61)

Interactions (2)

Article	Year
Chemical profiling of guarana seeds (Paullinia cupana) from different geographical origins using UPLC-QTOF-MS combined with chemometrics. Food research international (Ottawa, Ont.), Volume: 102	2017
Stepwise injection potentiometric determination of caffeine in saliva using single-drop microextraction combined with solvent exchange. Talanta, Apr-01, Volume: 150	2016
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

theobromine

Description

Related Flora

Cross-References

Synonyms (198)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (7)

Drug Classes (1)

Pathways (7)

Protein Targets (37)

Potency Measurements

Inhibition Measurements

Molecular Functions (1)

Ceullar Components (2)

Bioassays (73)

Research

Studies (1,745)

Study Types

Clinical Trials (13)

Trial Overview

Related Drugs (3,323)

Related Conditions (2,094)

Research Highlights

Safety/Toxicity (21)

Long-term Use (5)

Pharmacokinetics (31)

Bioavailability (20)

Dosage (61)

Interactions (2)