4-anisaldehyde profile

4-anisaldehyde: RN given refers to cpd with specified locants for methoxy moieties; structure in Merck, 9th ed, #696 [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

p-methoxybenzaldehyde : A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4. [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]

ID Source	ID
PubMed CID	31244
CHEMBL ID	161598
CHEBI ID	28235
SCHEMBL ID	1100
MeSH ID	M0083631

Synonym
einecs 256-891-3
brn 0471382
MLS002152921
smr001224521
wln: vhr do1
anisaldehyde
4-anisaldehyde
4-methoxybenzaldehyde
anisic aldehyde
p-formylanisole
obepin
nsc-5590
benzaldehyde, 4-methoxy-
p-anisic aldehyde
aubepine
crategine
nsc5590
p-methoxybenzaldehyde
ai3-00223
nsc 5590
caswell no. 051e
hsdb 2641
einecs 204-602-6
fema no. 2670
ccris 821
formylanisole, p-
p-methoxybenzaldehyde (natural)
inchi=1/c8h8o2/c1-10-8-4-2-7(6-9)3-5-8/h2-6h,1h
benzaldehyde,4-methoxy mfc8 h8 o2
NCGC00090807-01
p-anisaldehyde
123-11-5
p-anisaldehyde, >=97.5%, fcc, fg
p-anisaldehyde, 98%
AC-10379
A0480
bdbm50139370
AKOS000118814
BMSE010130
4-methoxy benzaldehyde
FT-0662228
FT-0662227
4-methoxy-benzaldehyde
CHEMBL161598 ,
A805017
NCGC00090807-02
para-anisaldehyde
HMS3039F08
NCGC00257076-01
cas-123-11-5
dtxsid2026997 ,
dtxcid906997
tox21_303331
tox21_201943
NCGC00259492-01
fema 2670
p-methoxybenzylidenemalonitrile
50984-52-6
4-08-00-00252 (beilstein handbook reference)
unii-9pa5v6656v
ec 204-602-6
9pa5v6656v ,
p-methoxybenzaldehyde-13c6
FT-0617622
S5086
mepyramine maleate impurity p [ep impurity]
para-methoxybenzaldehyde
para- methoxybenzaldehyde
p-methoxybenzaldehyde [fhfi]
p-anisaldehyde [hsdb]
p-anisaldehyde [mi]
p-anisaldehyde [usp-rs]
p-methoxybenzaldehyde [fcc]
anisaldehyde [inci]
CCG-214805
SCHEMBL1100
p-methoxy benzaldehyde
4-methoxybenzene carboxaldehyde
4-methoxybezaldehyde
para-methoxy benzaldehyde
anisaldehyd
4-methoxylbenzaldehyde
4-(methyloxy)benzaldehyde
4-methoxybenzaldehye
anisaldehyde (para)
anis aldehyde
68894-36-0
Q-100105
mfcd00003385
F2190-0575
p-anisaldehyde, analytical standard
p-anisaldehyde, primary pharmaceutical reference standard
p-anisaldehyde, certified reference material, tracecert(r)
p-anisaldehyde, united states pharmacopeia (usp) reference standard
AC7808
benzaldehyde, 4-methoxy
p-anisaldehyde (usp-rs)
mepyramine maleate impurity p (ep impurity)
p-anisaldehyde, for synthesis, 98.0%
p-anisaldehyde, natural, 98%, fg
p-anisaldehyde, 8ci
SY001689
CS-W020189
p-anisaldehyde,p-methoxybenzaldhyde
anisal
CHEBI:28235 ,
p-anisaldehyde,(s)
p-anisaldehyde, reagent
Q174937
EN300-16096
STL194068
CS-11005
HY-Y0740
4-methoxybenzylaldehyde
Z53833125

Role	Description
insect repellent	An insecticide that acts as a repellent to insects.
human urinary metabolite	Any metabolite (endogenous or exogenous) found in human urine samples.
plant metabolite	Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
bacterial metabolite	Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
[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
benzaldehydes	Any arenecarbaldehyde that consists of a formyl substituted benzene ring and its substituted derivatives thereof.
[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]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
GLI family zinc finger 3	Homo sapiens (human)	Potency	38.0614	0.0007	14.5928	83.7951	AID1259369
AR protein	Homo sapiens (human)	Potency	56.2341	0.0002	21.2231	8,912.5098	AID588516
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	7.9433	0.0112	12.4002	100.0000	AID1030
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	32.5939	0.0002	29.3054	16,493.5996	AID743069; AID743075
peroxisome proliferator activated receptor gamma	Homo sapiens (human)	Potency	50.1187	0.0010	19.4141	70.9645	AID588537
cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_a	Homo sapiens (human)	Potency	24.3365	0.0017	23.8393	78.1014	AID743083
activating transcription factor 6	Homo sapiens (human)	Potency	60.8236	0.1434	27.6121	59.8106	AID1159516
chromobox protein homolog 1	Homo sapiens (human)	Potency	89.1251	0.0060	26.1688	89.1251	AID540317
thyroid hormone receptor beta isoform a	Homo sapiens (human)	Potency	17.7828	0.0100	39.5371	1,122.0200	AID588545
parathyroid hormone/parathyroid hormone-related peptide receptor precursor	Homo sapiens (human)	Potency	1.1220	3.5481	19.5427	44.6684	AID743266
[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)
Cytochrome P450 1A2	Homo sapiens (human)	IC50 (µMol)	270.0000	0.0001	1.7740	10.0000	AID241334
Cytochrome P450 2A6	Homo sapiens (human)	IC50 (µMol)	5.1500	0.0044	3.8895	10.0000	AID241172
Tyrosinase	Homo sapiens (human)	IC50 (µMol)	320.0000	0.0230	4.4593	10.0000	AID213388
Cytochrome P450 2A5	Mus musculus (house mouse)	IC50 (µMol)	5.2300	1.0000	4.2025	9.7051	AID241174
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
steroid catabolic process	Cytochrome P450 1A2	Homo sapiens (human)
porphyrin-containing compound metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
cholesterol metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
toxin biosynthetic process	Cytochrome P450 1A2	Homo sapiens (human)
post-embryonic development	Cytochrome P450 1A2	Homo sapiens (human)
alkaloid metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
regulation of gene expression	Cytochrome P450 1A2	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
dibenzo-p-dioxin metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 1A2	Homo sapiens (human)
lung development	Cytochrome P450 1A2	Homo sapiens (human)
methylation	Cytochrome P450 1A2	Homo sapiens (human)
monocarboxylic acid metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 1A2	Homo sapiens (human)
retinol metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 1A2	Homo sapiens (human)
cellular respiration	Cytochrome P450 1A2	Homo sapiens (human)
aflatoxin metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
hydrogen peroxide biosynthetic process	Cytochrome P450 1A2	Homo sapiens (human)
oxidative demethylation	Cytochrome P450 1A2	Homo sapiens (human)
cellular response to cadmium ion	Cytochrome P450 1A2	Homo sapiens (human)
omega-hydroxylase P450 pathway	Cytochrome P450 1A2	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 2A6	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 2A6	Homo sapiens (human)
coumarin metabolic process	Cytochrome P450 2A6	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 2A6	Homo sapiens (human)
coumarin catabolic process	Cytochrome P450 2A6	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 2A6	Homo sapiens (human)
melanin biosynthetic process from tyrosine	Tyrosinase	Homo sapiens (human)
eye pigment biosynthetic process	Tyrosinase	Homo sapiens (human)
visual perception	Tyrosinase	Homo sapiens (human)
cell population proliferation	Tyrosinase	Homo sapiens (human)
response to UV	Tyrosinase	Homo sapiens (human)
response to blue light	Tyrosinase	Homo sapiens (human)
response to vitamin D	Tyrosinase	Homo sapiens (human)
melanin biosynthetic process	Tyrosinase	Homo sapiens (human)
thymus development	Tyrosinase	Homo sapiens (human)
response to cAMP	Tyrosinase	Homo sapiens (human)
pigmentation	Tyrosinase	Homo sapiens (human)
succinate metabolic process	Succinate-semialdehyde dehydrogenase, mitochondrial	Homo sapiens (human)
glutamate metabolic process	Succinate-semialdehyde dehydrogenase, mitochondrial	Homo sapiens (human)
central nervous system development	Succinate-semialdehyde dehydrogenase, mitochondrial	Homo sapiens (human)
gamma-aminobutyric acid catabolic process	Succinate-semialdehyde dehydrogenase, mitochondrial	Homo sapiens (human)
post-embryonic development	Succinate-semialdehyde dehydrogenase, mitochondrial	Homo sapiens (human)
synaptic transmission, GABAergic	Succinate-semialdehyde dehydrogenase, mitochondrial	Homo sapiens (human)
response to hypoxia	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
copulation	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
locomotory behavior	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
response to xenobiotic stimulus	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
gamma-aminobutyric acid metabolic process	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
gamma-aminobutyric acid biosynthetic process	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
response to iron ion	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
negative regulation of gamma-aminobutyric acid secretion	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
cerebellum development	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
positive regulation of heat generation	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
positive regulation of insulin secretion	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
negative regulation of dopamine secretion	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
response to nicotine	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
exploration behavior	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
response to ethanol	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
negative regulation of blood pressure	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
positive regulation of dopamine metabolic process	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
behavioral response to cocaine	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
positive regulation of uterine smooth muscle contraction	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
positive regulation of inhibitory postsynaptic potential	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
positive regulation of prolactin secretion	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
positive regulation of aspartate secretion	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
gamma-aminobutyric acid catabolic process	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
monooxygenase activity	Cytochrome P450 1A2	Homo sapiens (human)
iron ion binding	Cytochrome P450 1A2	Homo sapiens (human)
protein binding	Cytochrome P450 1A2	Homo sapiens (human)
electron transfer activity	Cytochrome P450 1A2	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 1A2	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 1A2	Homo sapiens (human)
enzyme binding	Cytochrome P450 1A2	Homo sapiens (human)
heme binding	Cytochrome P450 1A2	Homo sapiens (human)
demethylase activity	Cytochrome P450 1A2	Homo sapiens (human)
caffeine oxidase activity	Cytochrome P450 1A2	Homo sapiens (human)
aromatase activity	Cytochrome P450 1A2	Homo sapiens (human)
estrogen 16-alpha-hydroxylase activity	Cytochrome P450 1A2	Homo sapiens (human)
estrogen 2-hydroxylase activity	Cytochrome P450 1A2	Homo sapiens (human)
hydroperoxy icosatetraenoate dehydratase activity	Cytochrome P450 1A2	Homo sapiens (human)
iron ion binding	Cytochrome P450 2A6	Homo sapiens (human)
coumarin 7-hydroxylase activity	Cytochrome P450 2A6	Homo sapiens (human)
enzyme binding	Cytochrome P450 2A6	Homo sapiens (human)
heme binding	Cytochrome P450 2A6	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 2A6	Homo sapiens (human)
arachidonic acid epoxygenase activity	Cytochrome P450 2A6	Homo sapiens (human)
tyrosinase activity	Tyrosinase	Homo sapiens (human)
copper ion binding	Tyrosinase	Homo sapiens (human)
protein binding	Tyrosinase	Homo sapiens (human)
identical protein binding	Tyrosinase	Homo sapiens (human)
protein homodimerization activity	Tyrosinase	Homo sapiens (human)
succinate-semialdehyde dehydrogenase (NAD+) activity	Succinate-semialdehyde dehydrogenase, mitochondrial	Homo sapiens (human)
identical protein binding	Succinate-semialdehyde dehydrogenase, mitochondrial	Homo sapiens (human)
4-aminobutyrate transaminase activity	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
pyridoxal phosphate binding	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
succinate-semialdehyde dehydrogenase binding	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
4-aminobutyrate:2-oxoglutarate transaminase activity	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
identical protein binding	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
metal ion binding	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
(S)-3-amino-2-methylpropionate transaminase activity	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
iron-sulfur cluster binding	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
endoplasmic reticulum membrane	Cytochrome P450 1A2	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 1A2	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 1A2	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 2A6	Homo sapiens (human)
cytoplasmic microtubule	Cytochrome P450 2A6	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2A6	Homo sapiens (human)
cytoplasm	Cytochrome P450 2A6	Homo sapiens (human)
cytoplasm	Tyrosinase	Homo sapiens (human)
lysosome	Tyrosinase	Homo sapiens (human)
Golgi-associated vesicle	Tyrosinase	Homo sapiens (human)
melanosome membrane	Tyrosinase	Homo sapiens (human)
melanosome	Tyrosinase	Homo sapiens (human)
intracellular membrane-bounded organelle	Tyrosinase	Homo sapiens (human)
perinuclear region of cytoplasm	Tyrosinase	Homo sapiens (human)
mitochondrion	Succinate-semialdehyde dehydrogenase, mitochondrial	Homo sapiens (human)
mitochondrial matrix	Succinate-semialdehyde dehydrogenase, mitochondrial	Homo sapiens (human)
synapse	Succinate-semialdehyde dehydrogenase, mitochondrial	Homo sapiens (human)
mitochondrion	Succinate-semialdehyde dehydrogenase, mitochondrial	Homo sapiens (human)
mitochondrion	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
mitochondrial matrix	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
4-aminobutyrate transaminase complex	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
mitochondrion	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
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.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1745845	Primary qHTS for Inhibitors of ATXN expression
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.
AID293934	Inhibition of pieris rapae Phenoloxidase	2007	Bioorganic & medicinal chemistry, Mar-01, Volume: 15, Issue:5	3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors.
AID260086	Inhibitory activity against GABAT	2006	Bioorganic & medicinal chemistry letters, Feb, Volume: 16, Issue:3	Inhibition of GABA shunt enzymes' activity by 4-hydroxybenzaldehyde derivatives.
AID1291721	Protective activity against Daboia russellii venom-induced hemorrhage in Swiss albino mouse at 100 mmol, iv assessed as hemorhagic lesion by measuring minimal hemolytic dose administered immediately after venom injection measured after 24 hrs (Rvb =5 ug)	2016	European journal of medicinal chemistry, May-23, Volume: 114	Molecular modeling and snake venom phospholipase A2 inhibition by phenolic compounds: Structure-activity relationship.
AID475505	Binding affinity to amyloid beta (1 to 42) oligomers by change in fluorescence at 100 uM after 10 mins	2009	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 19, Issue:17	A chemical screening approach reveals that indole fluorescence is quenched by pre-fibrillar but not fibrillar amyloid-beta.
AID213388	Inhibitory activity was evaluated against the oxidation of L-3,4-dihydroxyphenylalanine (L-DOPA) catalyzed by mushroom tyrosinase	2004	Bioorganic & medicinal chemistry letters, Feb-09, Volume: 14, Issue:3	2-hydroxy-4-isopropylbenzaldehyde, a potent partial tyrosinase inhibitor.
AID1090713	Thrips luring activity against female New Zealand Thrips obscuratus (flower thrips) assessed as ratio of thrips in baited traps to unbaited traps during field trapping study	2007	Journal of agricultural and food chemistry, Jul-25, Volume: 55, Issue:15	4-pyridyl carbonyl and related compounds as thrips lures: effectiveness for onion thrips and new zealand flower thrips in field experiments.
AID642415	Estrogenic activity at ERalpha in human MVLN cells at 20 ug/mL after 24 hrs by luciferase reporter gene assay relative to E2	2012	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 22, Issue:1	Discovery of estrogen receptor α modulators from natural compounds in Si-Wu-Tang series decoctions using estrogen-responsive MCF-7 breast cancer cells.
AID241174	Inhibitory concentration against mouse cytochrome P450 2A5	2005	Journal of medicinal chemistry, Jan-27, Volume: 48, Issue:2	Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.
AID1103184	Ratio of benzyl benzoate LD50 to compound LD50 for 7 to 10 day-old Dermatophagoides pteronyssinus adult after 24 hr by microscopy	2004	Journal of agricultural and food chemistry, May-19, Volume: 52, Issue:10	Acaricidal activity of constituents identified in Foeniculum vulgare fruit oil against Dermatophagoides spp. (Acari: Pyroglyphidae).
AID1291719	Protective activity against Naja kaouthia venom-induced mortality in Swiss albino mouse at 100 mmol, iv by measuring venom LD50 administered immediately after venom injection measured after 24 hrs (Rvb = 2.82 ug)	2016	European journal of medicinal chemistry, May-23, Volume: 114	Molecular modeling and snake venom phospholipase A2 inhibition by phenolic compounds: Structure-activity relationship.
AID1291714	Protective activity against Daboia russellii venom-induced hemorrhage in intradermally dosed Swiss albino mouse at 100 mmol assessed as hemorhagic lesion by measuring minimal hemolytic dose preincubated with venom for 1 hr followed by administration to mo	2016	European journal of medicinal chemistry, May-23, Volume: 114	Molecular modeling and snake venom phospholipase A2 inhibition by phenolic compounds: Structure-activity relationship.
AID1103187	Acaricidal activity against 7 to 10 day-old Dermatophagoides pteronyssinus adult after 24 hr by microscopy	2004	Journal of agricultural and food chemistry, May-19, Volume: 52, Issue:10	Acaricidal activity of constituents identified in Foeniculum vulgare fruit oil against Dermatophagoides spp. (Acari: Pyroglyphidae).
AID1090711	Thrips luring activity against female Thrips tabaci (onion thrips) assessed as ratio of thrips in baited traps to unbaited traps during field trapping study	2007	Journal of agricultural and food chemistry, Jul-25, Volume: 55, Issue:15	4-pyridyl carbonyl and related compounds as thrips lures: effectiveness for onion thrips and new zealand flower thrips in field experiments.
AID1291712	Protective activity against Naja kaouthia venom-induced mortality in Swiss albino mouse at 100 mmol, iv by measuring venom LD50 preincubated with venom for 1 hr followed by administration to mouse measured after 24 hrs (Rvb = 2.82 ug)	2016	European journal of medicinal chemistry, May-23, Volume: 114	Molecular modeling and snake venom phospholipase A2 inhibition by phenolic compounds: Structure-activity relationship.
AID642414	Estrogenic activity at ERalpha in human MVLN cells at 100 ug/mL after 24 hrs by luciferase reporter gene assay relative to E2	2012	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 22, Issue:1	Discovery of estrogen receptor α modulators from natural compounds in Si-Wu-Tang series decoctions using estrogen-responsive MCF-7 breast cancer cells.
AID1103185	Ratio of benzyl benzoate LD50 to compound LD50 for 7 to 10 day-old Dermatophagoides farinae adult after 24 hr by microscopy	2004	Journal of agricultural and food chemistry, May-19, Volume: 52, Issue:10	Acaricidal activity of constituents identified in Foeniculum vulgare fruit oil against Dermatophagoides spp. (Acari: Pyroglyphidae).
AID1091225	Thrips luring activity against female Frankliniella occidentalis (western flower thrips) assessed as induction of thrips to walk up odor-laden arm of Y-tube olfactometer at 1 x 10'-5 uL by Y-tube olfactometer bioassay	2008	Journal of agricultural and food chemistry, Aug-13, Volume: 56, Issue:15	4-Pyridyl carbonyl compounds as thrips lures: effectiveness for Western flower thrips in y-tube bioassays.
AID1337095	Inhibition of human MPO	2017	ACS medicinal chemistry letters, Feb-09, Volume: 8, Issue:2	From Dynamic Combinatorial Chemistry to
AID1573603	Inhibition of NO711 binding to mouse GAT1 expressed in HEK293 cell membranes assessed as residual binding at 1 uM preincubated for 4 hrs followed by NO711 addition and measured after 40 mins by LC-ESI-MS/MS analysis relative to control	2018	Journal of medicinal chemistry, 11-21, Volume: 61, Issue:22	Novel Allosteric Ligands of γ-Aminobutyric Acid Transporter 1 (GAT1) by MS Based Screening of Pseudostatic Hydrazone Libraries.
AID260087	Inhibitory activity against SSADH	2006	Bioorganic & medicinal chemistry letters, Feb, Volume: 16, Issue:3	Inhibition of GABA shunt enzymes' activity by 4-hydroxybenzaldehyde derivatives.
AID1656235	Cytotoxicity against mouse B16F10 cells assessed as reduction in cell viability	2019	European journal of medicinal chemistry, Feb-15, Volume: 164	Green recipes to quinoline: A review.
AID1602658	Inhibition of mouse GAT-1 assessed as percentage of remaining specific binding of NO711 at 1 uM after 4 hrs by LC-ESI-MS/ms analysis relative to control	2019	Bioorganic & medicinal chemistry, 04-01, Volume: 27, Issue:7	Screening oxime libraries by means of mass spectrometry (MS) binding assays: Identification of new highly potent inhibitors to optimized inhibitors γ-aminobutyric acid transporter 1.
AID475504	Binding affinity to amyloid beta (1 to 42) fibrils by change in fluorescence at 100 uM after 10 mins	2009	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 19, Issue:17	A chemical screening approach reveals that indole fluorescence is quenched by pre-fibrillar but not fibrillar amyloid-beta.
AID1103188	Acaricidal activity against 7 to 10 day-old Dermatophagoides farinae adult after 24 hr by microscopy	2004	Journal of agricultural and food chemistry, May-19, Volume: 52, Issue:10	Acaricidal activity of constituents identified in Foeniculum vulgare fruit oil against Dermatophagoides spp. (Acari: Pyroglyphidae).
AID1291722	Protective activity against Daboia russellii venom-induced hemorrhage in Swiss albino mouse at 100 mmol, iv assessed as hemorhagic lesion administered immediately after venom injection measured after 24 hrs relative to untreated control	2016	European journal of medicinal chemistry, May-23, Volume: 114	Molecular modeling and snake venom phospholipase A2 inhibition by phenolic compounds: Structure-activity relationship.
AID1291710	Protective activity against Daboia russellii venom-induced mortality by measuring venom LD50 in Swiss albino mouse at 100 mmol, iv preincubated with venom for 1 hr followed by administration to mouse measured after 24 hrs (Rvb = 2.28 ug)	2016	European journal of medicinal chemistry, May-23, Volume: 114	Molecular modeling and snake venom phospholipase A2 inhibition by phenolic compounds: Structure-activity relationship.
AID1291715	Protective activity against Daboia russellii venom-induced hemorrhage in intradermally dosed Swiss albino mouse at 100 mmol assessed as hemorhagic lesion preincubated with venom for 1 hr followed by administration to mouse measured after 24 hrs relative t	2016	European journal of medicinal chemistry, May-23, Volume: 114	Molecular modeling and snake venom phospholipase A2 inhibition by phenolic compounds: Structure-activity relationship.
AID1291717	Protective activity against Daboia russellii venom-induced mortality in Swiss albino mouse at 100 mmol, iv by measuring venom LD50 administered immediately after venom injection measured after 24 hrs (Rvb = 2.28ug)	2016	European journal of medicinal chemistry, May-23, Volume: 114	Molecular modeling and snake venom phospholipase A2 inhibition by phenolic compounds: Structure-activity relationship.
AID1291716	Lipophilicity, log P of compound	2016	European journal of medicinal chemistry, May-23, Volume: 114	Molecular modeling and snake venom phospholipase A2 inhibition by phenolic compounds: Structure-activity relationship.
AID1090712	Thrips luring activity against male New Zealand Thrips obscuratus (flower thrips) assessed as ratio of thrips in baited traps to unbaited traps during field trapping study	2007	Journal of agricultural and food chemistry, Jul-25, Volume: 55, Issue:15	4-pyridyl carbonyl and related compounds as thrips lures: effectiveness for onion thrips and new zealand flower thrips in field experiments.
AID241334	Inhibitory concentration against recombinant human cytochrome P450 1A2	2005	Journal of medicinal chemistry, Jun-02, Volume: 48, Issue:11	Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors.
AID241172	Inhibitory concentration against human cytochrome P450 2A6	2005	Journal of medicinal chemistry, Jan-27, Volume: 48, Issue:2	Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.
AID1544945	Inhibition of NO711 binding to mouse GAT1 expressed in HEK293 cell membranes assessed as residual binding at 1 uM incubated for 4 hrs in presence of NO711 by LC-ESI-MS/MS analysis relative to control	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Application of the concept of oxime library screening by mass spectrometry (MS) binding assays to pyrrolidine-3-carboxylic acid derivatives as potential inhibitors of γ-aminobutyric acid transporter 1 (GAT1).
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	9 (8.91)	18.7374
1990's	9 (8.91)	18.2507
2000's	24 (23.76)	29.6817
2010's	42 (41.58)	24.3611
2020's	17 (16.83)	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	0 (0.00%)	5.53%
Reviews	1 (0.97%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	102 (99.03%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Description	Relationhip Strength	Studies	Classes	Roles
benzaldehyde	[no description available]	high	18	benzaldehydes	EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite
cuminaldehyde	[no description available]	high	2	benzaldehydes	insecticide; plant metabolite; volatile oil component
salicylaldehyde	[no description available]	medium	6	hydroxybenzaldehyde	nematicide; plant metabolite
2-hydroxy-4-methoxybenzaldehyde	[no description available]	medium	3	methoxybenzenes; phenols
benzyl benzoate	[no description available]	medium	1	benzoate ester; benzyl ester	acaricide; plant metabolite; scabicide
thymol	[no description available]	medium	2	monoterpenoid; phenols	volatile oil component
estragole	[no description available]	medium	5	alkenylbenzene; monomethoxybenzene; phenylpropanoid	carcinogenic agent; flavouring agent; genotoxin; insect attractant; plant metabolite
fenchone, (+-)-isomer	[no description available]	medium	1	carbobicyclic compound; cyclic terpene ketone; fenchane monoterpenoid	plant metabolite
coumarin	[no description available]	medium	2	coumarins	fluorescent dye; human metabolite; plant metabolite
naphthalene	[no description available]	medium	2	naphthalenes; ortho-fused bicyclic arene	apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component
phenanthrene	[no description available]	medium	1	ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon; phenanthrenes	environmental contaminant; mouse metabolite
phenethylamine	[no description available]	medium	1	alkaloid; aralkylamine; phenylethylamine	Escherichia coli metabolite; human metabolite; mouse metabolite
amphetamine	[no description available]	medium	1	primary amine
4-dichlorobenzene	[no description available]	medium	1	dichlorobenzene	insecticide
1-methylnaphthalene	[no description available]	medium	2	methylnaphthalene	carcinogenic agent; plant metabolite
1-chloronaphthalene	[no description available]	medium	2
1-naphthol	[no description available]	medium	2	naphthol	genotoxin; human xenobiotic metabolite
2-methylnaphthalene	[no description available]	medium	2	methylnaphthalene
2-chloronaphthalene	[no description available]	medium	1
2-methylquinoline	[no description available]	medium	2	quinolines
2-methoxynaphthalene	[no description available]	medium	2	naphthalenes
4-methylbenzaldehyde	[no description available]	medium	4	tolualdehyde	plant metabolite
1,4-dibromobenzene	[no description available]	medium	1	dibromobenzene
2-naphthol	[no description available]	medium	2	naphthol	antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger
1,2-dimethylnaphthalene	[no description available]	medium	2	dimethylnaphthalene
1,6-dimethylnaphthalene	[no description available]	medium	2	dimethylnaphthalene
2,6-dimethylnaphthalene	[no description available]	medium	2	dimethylnaphthalene	environmental contaminant
3-methylquinoline	[no description available]	medium	2	methylquinoline	xenobiotic
2,6-dimethylquinoline	[no description available]	medium	2
1-methylisoquinoline	[no description available]	medium	1	isoquinolines
4-chlorobiphenyl	[no description available]	medium	2	monochlorobiphenyl
beta-tetralone	[no description available]	medium	1
pseudonicotine	[no description available]	medium	1	3-(1-methylpyrrolidin-2-yl)pyridine
2-chlorobiphenyl	[no description available]	medium	2	monochlorobiphenyl
cotinine	[no description available]	medium	2	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
benzoxazolone	[no description available]	medium	1	benzoxazole	allelochemical; phytoalexin
diphenyl	[no description available]	medium	1	aromatic fungicide; benzenes; biphenyls	antifungal agrochemical; antimicrobial food preservative
n-butylbenzene	[no description available]	medium	1	alkylbenzene
xi-gamma-Undecalactone	[no description available]	medium	1	lactone
gamma-valerolactone	[no description available]	medium	1	butan-4-olide	flavouring agent; human xenobiotic metabolite
indan	[no description available]	medium	1	indanes; ortho-fused bicyclic hydrocarbon
coumaran	[no description available]	medium	1	1-benzofurans	metabolite
caprolactone	[no description available]	medium	1	epsilon-lactone
1,4-dimethylnaphthalene	[no description available]	medium	1	dimethylnaphthalene
4-hexanolide	[no description available]	medium	1	butan-4-olide	human blood serum metabolite
decan-4-olide	[no description available]	medium	1	gamma-lactone; tetrahydrofuranone	anticonvulsant; flavouring agent; food additive
gamma-dodecalactone	[no description available]	medium	1	gamma-lactone	bacterial metabolite; fungal metabolite; volatile oil component
2(3h)-benzofuranone	[no description available]	medium	1
nicotine	[no description available]	medium	1	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
4-hydroxybenzyl alcohol	[no description available]	medium	1	benzyl alcohols; phenols	plant metabolite
4-hydroxybenzaldehyde	[no description available]	medium	8	hydroxybenzaldehyde	EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor; mouse metabolite; plant metabolite
4-hydroxybenzoic acid	[no description available]	medium	3	monohydroxybenzoic acid	algal metabolite; plant metabolite
4-aminobenzoic acid	[no description available]	medium	1	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
vanillin	[no description available]	high	14	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite
4-hydroxypropiophenone	[no description available]	medium	1	acetophenones
4-hydroxyacetophenone	[no description available]	medium	1	monohydroxyacetophenone	fungal metabolite; mouse metabolite; plant metabolite
4-hydroxybenzylamine	[no description available]	medium	1	aromatic amine
gastrodin	[no description available]	medium	1	glycoside
helicide	[no description available]	medium	1	glycoside
protocatechuic acid	[no description available]	medium	2	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
3-hydroxybenzaldehyde	[no description available]	medium	4	hydroxybenzaldehyde
benzoic acid	[no description available]	medium	2	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
salicylic acid	[no description available]	medium	2	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
beta-resorcylic acid	[no description available]	medium	1
2,5-dihydroxybenzoic acid	[no description available]	medium	1	dihydroxybenzoic acid	EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; fungal metabolite; human metabolite; MALDI matrix material; mouse metabolite
2,4-dihydroxybenzaldehyde	[no description available]	medium	2	dihydroxybenzaldehyde
4-tert-butylbenzoic acid	[no description available]	medium	1	alkylbenzene
3-hydroxybenzoic acid	[no description available]	medium	1	monohydroxybenzoic acid	bacterial metabolite; plant metabolite
4-anisic acid	[no description available]	medium	3	methoxybenzoic acid	plant metabolite
vanillic acid	[no description available]	medium	6	methoxybenzoic acid; monohydroxybenzoic acid	plant metabolite
2-Methoxybenzaldehyde	[no description available]	medium	6	carbonyl compound
protocatechualdehyde	[no description available]	medium	3	dihydroxybenzaldehyde
2-vanillin	[no description available]	high	3	benzaldehydes; guaiacols	antimutagen; plant metabolite
cumic acid	[no description available]	medium	1	cumic acid	plant metabolite
3-methoxybenzoic acid	[no description available]	medium	2	methoxybenzoic acid	flavouring agent; human urinary metabolite
3-methoxybenzaldehyde	[no description available]	medium	4	benzaldehydes; monomethoxybenzene	Brassica napus metabolite
isovanillin	[no description available]	high	3	benzaldehydes; monomethoxybenzene; phenols	animal metabolite; antidiarrhoeal drug; antifungal agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; HIV protease inhibitor; plant metabolite
isovanillic acid	[no description available]	medium	1	methoxybenzoic acid; monohydroxybenzoic acid	antibacterial agent; plant metabolite
3-amino-4-hydroxybenzoic acid	[no description available]	medium	1	aminobenzoic acid; monohydroxybenzoic acid
2,5-dihydroxybenzaldehyde	[no description available]	medium	3	dihydroxybenzaldehyde	human metabolite; mouse metabolite; Penicillium metabolite
4-amino-3-hydroxybenzoic acid	[no description available]	medium	1
4-propylbenzoic acid	[no description available]	medium	1	alkylbenzene
4-isopropylbenzaldehyde thiosemicarbazone	[no description available]	medium	1
3-hydroxy-4-methoxybenzaldehyde thiosemicarbazone	[no description available]	medium	1
salicylaldehyde thiosemicarbazone	[no description available]	medium	1
methyl salicylate	[no description available]	medium	1	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite
phenylethyl alcohol	[no description available]	medium	1	benzenes; primary alcohol	Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite
chloroform	[no description available]	medium	2	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
Ethyl 2-aminobenzoate	[no description available]	medium	1	benzoate ester
methyl benzoate	[no description available]	medium	1	benzoate ester; methyl ester	insect attractant; metabolite
ethyl benzoate	[no description available]	medium	1	benzoate ester; ethyl ester	flavouring agent; fragrance; volatile oil component
4-cyanopyridine	[no description available]	medium	2
ethyl salicylate	[no description available]	medium	1	hydroxybenzoic acid
methyl anthranilate	[no description available]	medium	1	benzoate ester	flavouring agent; metabolite
4-acetylpyridine	[no description available]	medium	2
ethyl isonicotinate	[no description available]	medium	2
ethylnicotinate	[no description available]	medium	2	aromatic carboxylic acid; pyridines
beta-ionone	[no description available]	medium	1	ionone	antioxidant; fragrance
Jasmone	[no description available]	medium	2	cyclic ketone
alpha-ionone	[no description available]	medium	1	enone; ionone; methyl ketone
MeJA	[no description available]	medium	1	Jasmonate derivatives
4-hydroxymethylpyridine	[no description available]	medium	1
indole	[no description available]	medium	1	indole; polycyclic heteroarene	Escherichia coli metabolite
indol-3-yl pyruvic acid	[no description available]	medium	1	2-oxo monocarboxylic acid; indol-3-yl carboxylic acid	plant metabolite; Saccharomyces cerevisiae metabolite
melatonin	[no description available]	medium	1	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
tryptamine	[no description available]	medium	1	aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines	human metabolite; mouse metabolite; plant metabolite
benzophenone	[no description available]	medium	1	benzophenones	photosensitizing agent; plant metabolite
fenofibrate	[no description available]	medium	1	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
indomethacin	[no description available]	medium	1	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
juglone	[no description available]	medium	1	hydroxy-1,4-naphthoquinone	geroprotector; herbicide; reactive oxygen species generator
masoprocol	[no description available]	medium	1	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite
perphenazine	[no description available]	medium	1	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenolsulfonphthalein	[no description available]	medium	1	2,1-benzoxathiole; arenesulfonate ester; phenols; sultone	acid-base indicator; diagnostic agent; two-colour indicator
p-dimethylaminoazobenzene	[no description available]	medium	1	azobenzenes
methylene blue	[no description available]	medium	1	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
tryptophan	[no description available]	medium	1	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
anthrone	[no description available]	medium	1	anthracenone	radical scavenger
aminacrine	[no description available]	medium	1	aminoacridines; primary amino compound	acid-base indicator; antiinfective agent; antiseptic drug; fluorescent dye; MALDI matrix material; mutagen
acetophenone	[no description available]	medium	2	acetophenones	animal metabolite; photosensitizing agent; xenobiotic
chloranil	[no description available]	medium	1	1,4-benzoquinones; organochlorine compound	EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite
veratraldehyde	[no description available]	medium	3	benzaldehydes; dimethoxybenzene	antifungal agent
catechin	[no description available]	medium	2	catechin	antioxidant; plant metabolite
flavanone	[no description available]	medium	1	flavanones
indole-3-carbaldehyde	[no description available]	medium	1	heteroarenecarbaldehyde; indole alkaloid; indoles	bacterial metabolite; human xenobiotic metabolite; marine metabolite; plant metabolite
methyl red	[no description available]	medium	1
1,2-naphthoquinone	[no description available]	medium	1	1,2-naphthoquinones	aryl hydrocarbon receptor agonist; carcinogenic agent
congo red	[no description available]	medium	1	bis(azo) compound
4,4'-bisphenol f	[no description available]	medium	1	bisphenol; diarylmethane	environmental food contaminant; xenoestrogen
azure a	[no description available]	medium	1
pontamine sky blue	[no description available]	medium	1
epigallocatechin gallate	[no description available]	medium	2	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
neocuproine	[no description available]	medium	1	phenanthrolines	chelator; copper chelator
4,4'-Dihydroxybenzophenone	[no description available]	medium	1	benzophenones
2,2'-Dihydroxybenzophenone	[no description available]	medium	1	benzophenones
2,3,4-trihydroxbenzophenone	[no description available]	medium	1	benzenetriol; hydroxybenzophenone	drug metabolite; EC 1.14.18.1 (tyrosinase) inhibitor; human urinary metabolite; quorum sensing inhibitor; rat metabolite
epicatechin	[no description available]	medium	1	catechin; polyphenol	antioxidant
5,5'-bis(8-(phenylamino)-1-naphthalenesulfonate)	[no description available]	medium	1
chrysamine g	[no description available]	medium	1
naringenin	[no description available]	medium	1	(2S)-flavan-4-one; naringenin	expectorant; plant metabolite
taxifolin	[no description available]	medium	1	taxifolin	metabolite
resveratrol	[no description available]	medium	1	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
ferulic acid	[no description available]	medium	3	ferulic acids	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite
3-coumaric acid	[no description available]	medium	1	3-coumaric acid
chalcone	[no description available]	medium	1	chalcone	EC 3.2.1.1 (alpha-amylase) inhibitor
quercetin	[no description available]	medium	2	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
apigenin	[no description available]	medium	1	trihydroxyflavone	antineoplastic agent; metabolite
kaempferol	[no description available]	medium	2	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite
genistein	[no description available]	medium	1	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
myricetin	[no description available]	medium	1	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite
rosmarinic acid	[no description available]	medium	1	rosmarinic acid	geroprotector; plant metabolite
ellagic acid	[no description available]	medium	1	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
diferuloylputrescine	[no description available]	medium	1	hydroxycinnamic acid
3,4',5-trimethoxystilbene	[no description available]	medium	1
phenyl-3-methoxy-4-hydroxystyryl ketone	[no description available]	medium	1
dimethoxycurcumin	[no description available]	medium	1
tetracycline	[no description available]	medium	1
minocycline	[no description available]	medium	1
meclan	[no description available]	medium	1
rolitetracycline	[no description available]	medium	1
azure c	[no description available]	medium	1
gallic acid	[no description available]	medium	2	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
anisole	[no description available]	medium	2	monomethoxybenzene	plant metabolite
Berberine chloride (TN)	[no description available]	medium	1	organic molecular entity
baicalin	[no description available]	medium	1	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
tetrahydropalmatine	[no description available]	medium	1	an (S)-7,8,13,14-tetrahydroprotoberberine; berberine alkaloid; organic heterotetracyclic compound	adrenergic agent; dopaminergic antagonist; non-narcotic analgesic
alantolactone	[no description available]	medium	1	naphthofuran; olefinic compound; sesquiterpene lactone	antineoplastic agent; apoptosis inducer; plant metabolite
isoalantolactone	[no description available]	medium	1	eudesmane sesquiterpenoid; sesquiterpene lactone	antifungal agent; apoptosis inducer; plant metabolite
aucubin	[no description available]	medium	1	organic molecular entity	metabolite
catalpol	[no description available]	medium	1	organic molecular entity	metabolite
scutellarin	[no description available]	medium	1	glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antineoplastic agent; proteasome inhibitor
jatrorrhizine chloride	[no description available]	medium	1
e-z cinnamic acid	[no description available]	medium	1	cinnamic acid	plant metabolite
cinnamaldehyde	[no description available]	medium	4	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
trans-4-coumaric acid	[no description available]	medium	1	4-coumaric acid	food component; mouse metabolite; plant metabolite
caffeic acid	[no description available]	medium	1	caffeic acid	geroprotector; mouse metabolite
isoferulic acid	[no description available]	medium	1	ferulic acids	antioxidant; biomarker; metabolite
linoleic acid	[no description available]	medium	1	octadecadienoic acid; omega-6 fatty acid	algal metabolite; Daphnia galeata metabolite; plant metabolite
rutin	[no description available]	medium	1	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite
costunolide	[no description available]	medium	1	germacranolide; heterobicyclic compound	anthelminthic drug; antiinfective agent; antineoplastic agent; antiparasitic agent; antiviral drug; metabolite
baicalein	[no description available]	medium	1	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
wogonin	[no description available]	medium	1	dihydroxyflavone; monomethoxyflavone	angiogenesis inhibitor; antineoplastic agent; cyclooxygenase 2 inhibitor; plant metabolite
narcissin flavonol	[no description available]	medium	1	disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; trihydroxyflavone
columbianadin	[no description available]	medium	1	alpha,beta-unsaturated carboxylic ester; furanocoumarin	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; plant metabolite; rat metabolite
alpha-cyperone	[no description available]	medium	1
peoniflorin	[no description available]	medium	1
catechol	[no description available]	medium	1	catechols	allelochemical; genotoxin; plant metabolite
hydroquinone	[no description available]	medium	1	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
phenol	[no description available]	medium	2	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
aspirin	[no description available]	medium	1	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
resorcinol	[no description available]	medium	1	benzenediol; phenolic donor; resorcinols	erythropoietin inhibitor; sensitiser
veratrole	[no description available]	medium	1	dimethoxybenzene	plant metabolite
ethyl vanillin	[no description available]	medium	1	aromatic ether; benzaldehydes; phenols	antioxidant; flavouring agent
1,4-dimethoxybenzene	[no description available]	medium	1	dimethoxybenzene
1,3-dimethoxybenzene	[no description available]	medium	1	methoxybenzenes
2,4-dimethoxybenzaldehyde	[no description available]	medium	1
2-hydroxy-4-methoxy benzoic acid	[no description available]	medium	1	methoxybenzoic acid
2,3-dihydroxybenzaldehyde	[no description available]	medium	1	dihydroxybenzaldehyde
2-hydroxy-5-methoxybenzaldehyde	[no description available]	medium	1	benzaldehydes; monomethoxybenzene; phenols
chloroacetaldehyde	[no description available]	medium	1	organochlorine compound
acetaldehyde	[no description available]	medium	1	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
propionaldehyde	[no description available]	medium	1	alpha-CH2-containing aldehyde; propanals	Escherichia coli metabolite
4-nitrobenzaldehyde	[no description available]	medium	6	benzaldehydes; C-nitro compound
formaldehyde	[no description available]	medium	1	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
glycolaldehyde	[no description available]	medium	1	glycolaldehydes	fundamental metabolite; human metabolite
chloral hydrate	[no description available]	medium	1	aldehyde hydrate; ethanediol; organochlorine compound	general anaesthetic; mouse metabolite; sedative; xenobiotic
glutaral	[no description available]	medium	2	dialdehyde	cross-linking reagent; disinfectant; fixative
hydralazine	[no description available]	medium	1	azaarene; hydrazines; ortho-fused heteroarene; phthalazines	antihypertensive agent; vasodilator agent
isoniazid	[no description available]	medium	1	carbohydrazide	antitubercular agent; drug allergen
isobutyraldehyde	[no description available]	medium	1	2-methyl-branched fatty aldehyde; propanals	Saccharomyces cerevisiae metabolite
2-chlorobenzaldehyde	[no description available]	medium	2
furaldehyde	[no description available]	medium	3	aldehyde; furans	Maillard reaction product; metabolite
thiophene-2-carboxaldehyde	[no description available]	medium	3	aldehyde; thiophenes	metabolite
3-nitrobenzaldehyde	[no description available]	medium	3
4-(dimethylamino)benzaldehyde	[no description available]	medium	2	benzaldehydes; substituted aniline; tertiary amino compound	chromogenic compound
4-chlorobenzaldehyde	[no description available]	medium	3
glyoxal	[no description available]	medium	1	dialdehyde	agrochemical; allergen; pesticide; plant growth regulator
4-methylphenylhydrazine	[no description available]	medium	1
malondialdehyde	[no description available]	medium	1	dialdehyde	biomarker
2-nitrobenzaldehyde	[no description available]	medium	3	benzaldehydes; C-nitro compound
4-aminobenzaldehyde	[no description available]	medium	1	benzaldehydes
2-butenal	[no description available]	medium	1	enal
2,4-dinitrophenylhydrazine	[no description available]	medium	1	C-nitro compound; phenylhydrazines	reagent
phthivazide	[no description available]	medium	1
no 711	[no description available]	medium	3	diarylmethane
syringaldehyde	[no description available]	medium	4	dimethoxybenzene; hydroxybenzaldehyde	hypoglycemic agent; plant metabolite
pyrrole-2-carboxaldehyde	[no description available]	medium	2	1,3-thiazole-2-carbaldehyde; pyrroles
3-phenoxybenzaldehyde	[no description available]	medium	3
tiagabine	[no description available]	medium	3	beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes	anticonvulsant; GABA reuptake inhibitor
quinoline-4-carbaldehyde	[no description available]	medium	3
2-quinolinecarboxaldehyde	[no description available]	medium	3
ciprofloxacin	[no description available]	medium	1	aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion	antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic
miltefosine	[no description available]	medium	1	phosphocholines; phospholipid	anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor
1-naphthaldehyde	[no description available]	medium	3	naphthaldehyde	mouse metabolite
4-bromoacetophenone	[no description available]	medium	1
4-chloroacetophenone	[no description available]	medium	1
phenylisothiocyanate	[no description available]	medium	1	isothiocyanate	allergen; reagent
2-amino-5-chlorobenzophenone	[no description available]	medium	1
pyridine-2-carboxaldehyde	[no description available]	medium	3	pyridinecarbaldehyde
4-(trifluoromethyl)benzaldehyde	[no description available]	medium	2	benzaldehydes
4-fluorobenzaldehyde	[no description available]	medium	2
gentamicin c1	[no description available]	medium	1
2-bromobenzaldehyde	[no description available]	medium	2
quinine	[no description available]	medium	1	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
gambogic acid	[no description available]	medium	1	pyranoxanthones	metabolite
nystatin a1	[no description available]	medium	1	nystatins
4-hydroxycoumarin	[no description available]	medium	2	hydroxycoumarin
gamma-aminobutyric acid	[no description available]	medium	2	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
guvacine	[no description available]	medium	1	alpha,beta-unsaturated monocarboxylic acid; beta-amino acid; pyridine alkaloid; secondary amino compound; tetrahydropyridine	GABA reuptake inhibitor; plant metabolite
nipecotic acid	[no description available]	medium	1	beta-amino acid; piperidinemonocarboxylic acid
2-naphthaldehyde	[no description available]	medium	2	naphthaldehyde	mouse metabolite
3-pyridinaldehyde	[no description available]	medium	2	pyridinecarbaldehyde
diphenylacetaldehyde	[no description available]	medium	2
9-anthraldehyde	[no description available]	medium	2
4-methoxy-1-naphthalaldehyde	[no description available]	medium	2
n-(4,4-diphenyl-3-butenyl)nipecotic acid	[no description available]	medium	1	diarylmethane
2-benzyloxybenzaldehyde	[no description available]	medium	2
nipecotic acid	[no description available]	medium	1	amino acid zwitterion; nipecotic acid
nipecotic acid, (s)-isomer	[no description available]	medium	1	nipecotic acid
phenylacetaldehyde	[no description available]	medium	1	alpha-CH2-containing aldehyde; phenylacetaldehydes	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
hydratropic aldehyde	[no description available]	medium	1	phenylacetaldehydes
piperonal	[no description available]	medium	1	arenecarbaldehyde; benzodioxoles	fragrance; insect repellent; plant metabolite
2-methylbenzaldehyde	[no description available]	medium	1	tolualdehyde	plant metabolite
3-methylbenzaldehyde	[no description available]	medium	1	tolualdehyde	plant metabolite
4-cyanobenzaldehyde	[no description available]	medium	1	benzaldehydes
lilial	[no description available]	medium	1
beta-proline	[no description available]	medium	1
thiourea	[no description available]	medium	1	one-carbon compound; thioureas; ureas	antioxidant; chromophore
anethole	[no description available]	medium	7	anethole	flavouring agent
chitosan	[no description available]	medium	1
ascorbic acid	[no description available]	medium	1	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid	[no description available]	medium	1
hydrogen	[no description available]	medium	1	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
nitrites	[no description available]	medium	1	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
acetoacetic acid	[no description available]	medium	1	3-oxo fatty acid; ketone body	metabolite
urea	[no description available]	medium	1	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
diacetyl	[no description available]	medium	1	alpha-diketone	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
dimethylamine	[no description available]	medium	1	methylamines; secondary aliphatic amine	metabolite
dimethyl sulfoxide	[no description available]	medium	1	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
quinoxalines	[no description available]	medium	1	mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene
4,4'-diaminodiphenylmethane	[no description available]	medium	1	aromatic amine	allergen; carcinogenic agent
aluminum	[no description available]	medium	4	boron group element atom; elemental aluminium; metal atom
lead	[no description available]	medium	2	carbon group element atom; elemental lead; metal atom	neurotoxin
benzyl alcohol	[no description available]	medium	1	benzyl alcohols	antioxidant; fragrance; metabolite; solvent
sulfuric acid	[no description available]	medium	1	sulfur oxoacid	catalyst
phenyl acetate	[no description available]	medium	1	benzenes; phenyl acetates
thiophenol	[no description available]	medium	1	aryl thiol
maleic anhydride	[no description available]	medium	1	cyclic dicarboxylic anhydride; furans	allergen
hydrazine	[no description available]	medium	1	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
mercury	[no description available]	medium	2	elemental mercury; zinc group element atom	neurotoxin
rhodamine b hydrazide	[no description available]	medium	1
menthol	[no description available]	medium	1	p-menthane monoterpenoid; secondary alcohol	volatile oil component
carvacrol	[no description available]	medium	1	botanical anti-fungal agent; p-menthane monoterpenoid; phenols	agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component
acetone	[no description available]	medium	1	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
betaine	[no description available]	medium	1	amino-acid betaine; glycine derivative	fundamental metabolite
carveol	[no description available]	medium	1	limonene monoterpenoid	plant metabolite; volatile oil component
caryophyllene	[no description available]	medium	2
methyleugenol	[no description available]	medium	2	phenylpropanoid
sesquiterpenes	[no description available]	medium	2
hc 030031	[no description available]	medium	1
isoeugenol	[no description available]	medium	1	isoeugenol	plant metabolite
guaiacol	[no description available]	medium	1	guaiacols	disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite
citral	[no description available]	medium	1	enal; monoterpenoid; polyprenal	plant metabolite; volatile oil component
citronellal	[no description available]	medium	1	aldehyde; monoterpenoid	antifungal agent; metabolite
geraniol	[no description available]	medium	2	3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol	allergen; fragrance; plant metabolite; volatile oil component
gold	[no description available]	medium	1	copper group element atom; elemental gold
alkenes	[no description available]	medium	2
hydroxyl radical	[no description available]	medium	1	oxygen hydride; oxygen radical; reactive oxygen species
fe(iii)-edta	[no description available]	medium	1	iron coordination entity
2,6-dimethoxy-1,4-benzoquinone	[no description available]	medium	1
quinone	[no description available]	medium	1	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite
manganese	[no description available]	medium	2	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
edetic acid	[no description available]	medium	1	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
oxalic acid	[no description available]	medium	1	alpha,omega-dicarboxylic acid	algal metabolite; human metabolite; plant metabolite
deuterium	[no description available]	medium	2	dihydrogen
linalool	[no description available]	medium	1	monoterpenoid; tertiary alcohol	antimicrobial agent; fragrance; plant metabolite; volatile oil component
isomethyleugenol	[no description available]	medium	2	isomethyleugenol
cyclopentane	[no description available]	medium	1	cycloalkane; cyclopentanes; volatile organic compound	non-polar solvent
lupeol	[no description available]	medium	1	pentacyclic triterpenoid; secondary alcohol	anti-inflammatory drug; plant metabolite
kanamycin a	[no description available]	medium	1	kanamycins	bacterial metabolite
stigmasterol	[no description available]	medium	1	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols; stigmastane sterol	plant metabolite
gamma-sitosterol	[no description available]	medium	1	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols	marine metabolite; plant metabolite
cytellin	[no description available]	medium	1
fluconazole	[no description available]	medium	1	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
ergosterol	[no description available]	medium	1	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	fungal metabolite; Saccharomyces cerevisiae metabolite
nadp	[no description available]	medium	1
thiosemicarbazide	[no description available]	medium	1	hydrazines; thiocarboxamide; thioureas
flocoumafen	[no description available]	medium	1	benzenes; naphthalenes; ring assembly
rhodanine	[no description available]	medium	1	thiazolidinone
methane	[no description available]	medium	1	alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound	bacterial metabolite; fossil fuel; greenhouse gas
veratric acid	[no description available]	medium	1	benzoic acids	allergen; plant metabolite
piperonylic acid	[no description available]	medium	1	aromatic carboxylic acid; benzodioxoles; monocarboxylic acid	antifungal agent; EC 1.14.14.91 ( trans-cinnamate 4-monooxygenase) inhibitor; plant metabolite; vulnerary
cyclohexanone	[no description available]	medium	1	cyclohexanones	human xenobiotic metabolite
tiletamine hydrochloride	[no description available]	medium	1
carbon tetrachloride	[no description available]	medium	1	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
levamisole	[no description available]	medium	1	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
ethylestrenol	[no description available]	medium	1	17beta-hydroxy steroid; tertiary alcohol	anabolic agent
aluminum chloride	[no description available]	medium	2	aluminium coordination entity	Lewis acid
chlorine	[no description available]	medium	3	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
allylestrenol	[no description available]	medium	1	steroid
benzyl cyanide	[no description available]	medium	1	benzenes; nitrile	animal metabolite; pheromone
levodopa	[no description available]	medium	1	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
phenacetin	[no description available]	medium	1	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
chloramphenicol	[no description available]	medium	1	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
lignin	[no description available]	medium	2
pentanal	[no description available]	medium	1	saturated fatty aldehyde	plant metabolite
butyraldehyde	[no description available]	medium	1	butanals	biomarker; Escherichia coli metabolite; mouse metabolite
cupric chloride	[no description available]	medium	1	copper molecular entity; inorganic chloride	EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor
veratryl alcohol	[no description available]	medium	1	benzyl alcohols; dimethoxybenzene; primary alcohol	fungal metabolite
tyrosine	[no description available]	medium	1	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
phenylalanine	[no description available]	medium	1	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
benzoin	[no description available]	medium	1	benzoins; secondary alpha-hydroxy ketone	EC 3.1.1.1 (carboxylesterase) inhibitor
3-chloro-4-hydroxybenzoate	[no description available]	medium	1
propylparaben	[no description available]	medium	1	benzoate ester; paraben; phenols	antifungal agent; antimicrobial agent
ethylnitrosourea	[no description available]	medium	1	N-nitrosoureas	alkylating agent; carcinogenic agent; genotoxin; mutagen
warfarin	[no description available]	medium	1	benzenes; hydroxycoumarin; methyl ketone
thioguanine anhydrous	[no description available]	medium	1	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent
acrolein	[no description available]	medium	2	enal	herbicide; human xenobiotic metabolite; toxin
pyridoxal	[no description available]	medium	1	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
cuminol	[no description available]	low	0	benzyl alcohols; p-menthane monoterpenoid	fragrance; insect repellent; plant metabolite; volatile oil component; xenobiotic metabolite
deet	[no description available]	low	0	benzamides; monocarboxylic acid amide	environmental contaminant; insect repellent; xenobiotic
thiamine hydrochloride	[no description available]	low	0	hydrochloride; vitamin B1	insect repellent
terpinolene	[no description available]	low	0	p-menthadiene	insect repellent; plant metabolite; sedative; volatile oil component
2-pentylfuran	[no description available]	low	0	furans	Aspergillus metabolite; bacterial metabolite; flavouring agent; human urinary metabolite; insect repellent; plant growth stimulator; volatile oil component
nootkatone	[no description available]	low	0	carbobicyclic compound; enone; sesquiterpenoid	fragrance; insect repellent; plant metabolite
alpha-ketoadipic acid	[no description available]	low	0	oxo dicarboxylic acid	human urinary metabolite; mouse metabolite
butyric acid	[no description available]	low	0	fatty acid 4:0; straight-chain saturated fatty acid	human urinary metabolite; Mycoplasma genitalium metabolite
n(1)-methylnicotinamide	[no description available]	low	0	pyridinium ion	algal metabolite; anti-inflammatory agent; human urinary metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
niacinamide	[no description available]	low	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
niacin	[no description available]	low	0	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
3-methoxytyramine	[no description available]	low	0	monomethoxybenzene; phenols; phenylethylamine; primary amino compound	biomarker; human blood serum metabolite; human urinary metabolite
vitamin k 3	[no description available]	low	0	1,4-naphthoquinones; vitamin K	angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical
salicyl alcohol	[no description available]	low	0	aromatic primary alcohol; hydroxybenzyl alcohol	human urinary metabolite
trigonelline	[no description available]	low	0	alkaloid; iminium betaine	food component; human urinary metabolite; plant metabolite
androsterone	[no description available]	low	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid	androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone
n-hexanal	[no description available]	low	0	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	human urinary metabolite
pyridoxic acid	[no description available]	low	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	human urinary metabolite; mouse metabolite
benzohydrol	[no description available]	low	0	benzyl alcohols; secondary alcohol	bacterial xenobiotic metabolite; human urinary metabolite; human xenobiotic metabolite; rat metabolite
(3,4-dimethoxyphenyl)acetic acid	[no description available]	low	0	dimethoxybenzene; phenylacetic acids	human urinary metabolite; human xenobiotic metabolite
4-cymene	[no description available]	low	0	monoterpene; toluenes	human urinary metabolite; plant metabolite; volatile oil component
4-bromophenol	[no description available]	low	0	bromophenol	human urinary metabolite; human xenobiotic metabolite; marine metabolite; mouse metabolite; persistent organic pollutant; rat metabolite
3,4,5-trimethoxybenzoic acid	[no description available]	low	0	benzoic acids; methoxybenzenes	human urinary metabolite; human xenobiotic metabolite; plant metabolite
2-methylfuran	[no description available]	low	0	furans; volatile organic compound	flavouring agent; fuel; hepatotoxic agent; human urinary metabolite; plant metabolite
3-tyramine	[no description available]	low	0	primary amino compound; tyramines	human urinary metabolite; neurotransmitter
2,5-dimethylfuran	[no description available]	low	0	furans	antifungal agent; bacterial metabolite; fuel; fumigant; human urinary metabolite; Maillard reaction product; plant metabolite
3-methyladipic acid	[no description available]	low	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human urinary metabolite
nitrohexane	[no description available]	low	0	primary nitroalkane	human urinary metabolite
5-methoxyindoleacetic acid	[no description available]	low	0	aromatic ether; indole-3-acetic acids	antibacterial agent; Brassica napus metabolite; carcinogenic agent; human urinary metabolite; marine xenobiotic metabolite; rat metabolite
3,5,6-trichloro-2-pyridinol	[no description available]	low	0	chloropyridine; hydroxypyridine; pyridone	human urinary metabolite; human xenobiotic metabolite; marine xenobiotic metabolite
s-methylcysteine	[no description available]	low	0	S-alkyl-L-cysteine zwitterion; S-alkyl-L-cysteine	human urinary metabolite; plant metabolite
4-heptanone	[no description available]	low	0	dialkyl ketone	biomarker; human urinary metabolite; human xenobiotic metabolite; rat metabolite
4-vinylphenol	[no description available]	low	0	phenols	human urinary metabolite; human xenobiotic metabolite
1,2,4-triazole-3-carboxamide	[no description available]	low	0	aromatic amide; monocarboxylic acid amide; primary carboxamide; triazoles	drug metabolite; human urinary metabolite
estradiol 17-sulfate	[no description available]	low	0	3-hydroxy steroid; phenolic steroid; steroid sulfate	human urinary metabolite
n-acetyltyrosine	[no description available]	low	0	N-acetyltyrosine; N-acyl-L-tyrosine	biomarker; EC 2.1.1.4 (acetylserotonin O-methyltransferase) inhibitor; human urinary metabolite
nicotinuric acid	[no description available]	low	0	N-acylglycine	human urinary metabolite
1-methylhypoxanthine	[no description available]	low	0	methylhypoxanthine	human urinary metabolite; rat metabolite
n-myristoylglycine	[no description available]	low	0	fatty amide; N-acylglycine	human blood serum metabolite; human urinary metabolite
6-hydroxynicotinic acid	[no description available]	low	0	monohydroxypyridine	Arabidopsis thaliana metabolite; human urinary metabolite; mouse metabolite
2-(methylamino)isobutyric acid	[no description available]	low	0	alanine derivative; alpha-amino acid zwitterion; non-proteinogenic alpha-amino acid; secondary amino compound	human urinary metabolite
5-methoxysalicylic acid	[no description available]	low	0	methoxysalicylic acid	bacterial metabolite; human urinary metabolite
2,5-furandicarboxylic acid	[no description available]	low	0	dicarboxylic acid; furans	human urinary metabolite
1,3,7-trimethylurate	[no description available]	low	0	oxopurine	human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; mouse metabolite
5-hydroxymethyl-2-furoic acid	[no description available]	low	0	aromatic primary alcohol; furoic acid	bacterial xenobiotic metabolite; fungal metabolite; human urinary metabolite; nematicide
acetaminophen mercapturate	[no description available]	low	0	acetamides; organic sulfide; phenols; S-substituted N-acetyl-L-cysteine	drug metabolite; human urinary metabolite; rat metabolite
n-butyrylglycine	[no description available]	low	0	N-acylglycine	human urinary metabolite
n-acetyltyrosine, (dl)-isomer	[no description available]	low	0	N-acetyl-amino acid; phenols; tyrosine derivative	human urinary metabolite
salsolinol	[no description available]	low	0	1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol	human urinary metabolite
2,8-dihydroxyadenine	[no description available]	low	0	6-aminopurines; diol; heteroaryl hydroxy compound; oxopurine	human urinary metabolite; mammalian metabolite; mouse metabolite; nephrotoxic agent
1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid	[no description available]	low	0	alpha-amino acid; aromatic amino acid; beta-carboline alkaloid	human urinary metabolite; human xenobiotic metabolite; plant metabolite; rat metabolite
n-acetyldopamine	[no description available]	low	0	acetamides; catechols; N-(fatty acyl)-dopamine; secondary carboxamide	human urinary metabolite; marine metabolite
3 alpha,17 alpha-dihydroxy-5 beta-pregnan-20-one	[no description available]	low	0	17alpha-hydroxy steroid; 20-oxo steroid; 3alpha-hydroxy steroid; C21-steroid; corticosteroid hormone	human urinary metabolite
3-(3-hydroxyphenyl)-3-hydroxypropanoic acid	[no description available]	low	0	dihydroxy monocarboxylic acid; phenols	human urinary metabolite
arsenocholine	[no description available]	low	0	arsonium ion; organoarsenic compound	human urinary metabolite; marine metabolite; xenobiotic
4-(methylnitrosamino)-1-(3-pyridyl)-1-butan-1-ol	[no description available]	low	0	nitrosamine; pyridines; secondary alcohol	biomarker; carcinogenic agent; human urinary metabolite
s-benzyl-n-acetyl-l-cysteine	[no description available]	low	0	organic sulfide; S-substituted N-acetyl-L-cysteine	human urinary metabolite; rat metabolite
1-hydroxymethylmidazolam	[no description available]	low	0	aromatic primary alcohol; imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	drug metabolite; human blood serum metabolite; human urinary metabolite
gamma-glutamylphenylalanine	[no description available]	low	0	dipeptide	human urinary metabolite
mono(2-ethyl-5-oxohexyl)phthalate	[no description available]	low	0	methyl ketone; phthalic acid monoester	human urinary metabolite; human xenobiotic metabolite
testosterone-17-sulfate	[no description available]	low	0	3-oxo-Delta(4) steroid; androstanoid; steroid sulfate	human urinary metabolite
dopamine 3-o-sulfate	[no description available]	low	0	aryl sulfate; phenols; primary amino compound; zwitterion	human blood serum metabolite; human urinary metabolite
estriol-16 alpha-glucuronide	[no description available]	low	0	17beta-hydroxy steroid; 3-hydroxy steroid; beta-D-glucosiduronic acid; phenols; steroid glucosiduronic acid	human urinary metabolite
ursocholic acid	[no description available]	low	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7beta-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid	EC 1.1.1.159 (7alpha-hydroxysteroid dehydrogenase) inhibitor; human urinary metabolite
dopamine 4-o-sulfate	[no description available]	low	0	aryl sulfate; phenols; primary amino compound; zwitterion	human blood serum metabolite; human urinary metabolite
3-hydroxymethylantipyrine	[no description available]	low	0	pyrazolone	drug metabolite; human urinary metabolite
4-hydroxymidazolam	[no description available]	low	0	imidazobenzodiazepine; monofluorobenzenes; organic hydroxy compound; organochlorine compound	drug metabolite; human blood serum metabolite; human urinary metabolite
bay-s 9435	[no description available]	low	0	cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; organosulfonic acid; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	drug metabolite; human urinary metabolite
1-hydroxymethylmidazolam glucuronide	[no description available]	low	0	beta-D-glucosiduronic acid; imidazobenzodiazepine; monofluorobenzenes; monosaccharide derivative; organochlorine compound	drug metabolite; human blood serum metabolite; human urinary metabolite
lanthionine ketimine	[no description available]	low	0	1,4-thiazine; dicarboxylic acid; sulfur-containing amino acid	anti-inflammatory agent; human urinary metabolite; neuroprotective agent
cystathionine ketimine	[no description available]	low	0	1-thia-4-azacyclohepta-3-ene-3,5-dicarboxylic acid; sulfur-containing amino acid	human urinary metabolite; mammalian metabolite; rat metabolite; reactive oxygen species generator
tyramine o-sulfate	[no description available]	low	0	aryl sulfate; primary amino compound; zwitterion	human urinary metabolite; human xenobiotic metabolite
acetyltaurine	[no description available]	low	0	acetamides; organosulfonic acid	human blood serum metabolite; human urinary metabolite
2-s-cysteinyldopa	[no description available]	low	0	amino dicarboxylic acid; aryl sulfide; catechols; diamine; L-tyrosine derivative; S-conjugate; S-organyl-L-cysteine	human urinary metabolite
bradykinin, hydroxy-pro(3)-	[no description available]	low	0	oligopeptide; peptide hormone	bradykinin receptor agonist; human urinary metabolite
mono(2-ethyl-5-hydroxyhexyl) phthalate	[no description available]	low	0	phthalic acid monoester	human urinary metabolite; human xenobiotic metabolite
5-hydroxyhexanoic acid	[no description available]	low	0	(omega-1)-hydroxy fatty acid; medium-chain fatty acid	human urinary metabolite
hawkinsin	[no description available]	low	0	cycloalkene; cysteine derivative; dicarboxylic acid; diol; secondary allylic alcohol; tertiary allylic alcohol	biomarker; human urinary metabolite
3-hydroxyglutaric acid	[no description available]	low	0	3-hydroxy carboxylic acid; alpha,omega-dicarboxylic acid	human blood serum metabolite; human urinary metabolite
adrenosterone	[no description available]	low	0	11-oxo steroid; 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; human urinary metabolite; marine metabolite
3-octanone	[no description available]	low	0	dialkyl ketone	antifeedant; biomarker; fungal metabolite; human urinary metabolite; insect attractant; plant metabolite; toxin
s-adenosyl-3-methylthiopropylamine	[no description available]	low	0	adenosines; sulfonium compound	Escherichia coli metabolite; human urinary metabolite; mouse metabolite; rat metabolite
riboflavin	[no description available]	low	0	flavin; vitamin B2	anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite
n-isovalerylglycine	[no description available]	low	0	N-acylglycine	human urinary metabolite
s-phenyl-n-acetylcysteine	[no description available]	low	0	aryl sulfide; S-substituted N-acetyl-L-cysteine	biomarker; human urinary metabolite
3-(1H-imidazol-1-yl)propanoic acid	[no description available]	low	0	imidazolyl carboxylic acid	human urinary metabolite
20-carboxyleukotriene b4	[no description available]	low	0	alpha,omega-dicarboxylic acid; hydroxy carboxylic acid; leukotriene	human blood serum metabolite; human urinary metabolite
n-acetylleukotriene e4	[no description available]	low	0	leukotriene	human urinary metabolite
methyl 2,5-dihydroxycinnamate	[no description available]	low	0	cinnamate ester; hydroquinones; methyl ester	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; geroprotector; human urinary metabolite; plant metabolite
cedrene	[no description available]	low	0	bridged compound; carbotricyclic compound; polycyclic olefin; sesquiterpene	human urinary metabolite; volatile oil component
5,12-dihydroxy-6,8,14-eicosatrienoic acid	[no description available]	low	0	dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid	human urinary metabolite; human xenobiotic metabolite
yunaconitine	[no description available]	low	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
4-hydroxyestrone	[no description available]	low	0	17-oxo steroid; 3-hydroxy steroid; 4-hydroxy steroid; catechols; phenolic steroid	carcinogenic agent; estrogen; human urinary metabolite
decanoylcarnitine	[no description available]	low	0	decanoate ester; O-acylcarnitine	human urinary metabolite
n-isobutyrylglycine	[no description available]	low	0	N-acylglycine	human urinary metabolite
prolyl-proline	[no description available]	low	0	dipeptide	human urinary metabolite; Mycoplasma genitalium metabolite
ethyl glucuronide	[no description available]	low	0	beta-D-glucosiduronic acid	human urinary metabolite
dihydrotestosterone glucuronide	[no description available]	low	0	3-oxo-5alpha-steroid; steroid glucosiduronic acid	human urinary metabolite
2,3-dihydroxybenzoic acid	[no description available]	low	0	dihydroxybenzoic acid	human xenobiotic metabolite; plant metabolite
tartronic acid	[no description available]	low	0	dicarboxylic acid; dicarboxylic fatty acid	plant metabolite
3-phenylpropionic acid	[no description available]	low	0	benzenes; monocarboxylic acid	antifungal agent; human metabolite; plant metabolite
4-hydroxyphenylacetic acid	[no description available]	low	0	monocarboxylic acid; phenols	fungal metabolite; human metabolite; mouse metabolite; plant metabolite
aminolevulinic acid	[no description available]	low	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	ureas	mouse metabolite; plant metabolite
betaine aldehyde	[no description available]	low	0	quaternary ammonium ion	Aspergillus metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite
cadaverine	[no description available]	low	0	alkane-alpha,omega-diamine	Daphnia magna metabolite; Escherichia coli metabolite; mouse metabolite; plant metabolite
choline	[no description available]	low	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
4-vinylguaiacol	[no description available]	low	0	phenols	flavouring agent; pheromone; plant metabolite
4-methylumbelliferyl acetate	[no description available]	low	0	acetate ester; coumarins	plant metabolite
indoleacetamide	[no description available]	low	0	indoles; monocarboxylic acid amide; N-acylammonia	bacterial metabolite; fungal metabolite; plant metabolite
caprylic aldehyde	[no description available]	low	0	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	plant metabolite
1-aminocyclopropane-1-carboxylic acid	[no description available]	low	0	amino acid zwitterion; monocarboxylic acid; non-proteinogenic alpha-amino acid	ethylene releasers; plant metabolite
3,4-dihydrocoumarin	[no description available]	low	0	chromanone	plant metabolite
homogentisic acid	[no description available]	low	0	dihydroxyphenylacetic acid; hydroquinones	human metabolite; plant metabolite
indoleacetic acid	[no description available]	low	0	indole-3-acetic acids; monocarboxylic acid	auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite
melilotic acid	[no description available]	low	0	monocarboxylic acid; phenols	bacterial xenobiotic metabolite; fungal xenobiotic metabolite; human xenobiotic metabolite; plant metabolite
racemethionine	[no description available]	low	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	alkaloid; phenylethanolamines	human metabolite; plant metabolite
1-octanol	[no description available]	low	0	octanol; primary alcohol	antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite
palmitic acid	[no description available]	low	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	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	oxo dicarboxylic acid	Escherichia coli metabolite; plant metabolite
pyridoxamine	[no description available]	low	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	benzenetriol; phenolic donor	plant metabolite
aminopropionitrile	[no description available]	low	0	aminopropionitrile	antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite
meglutol	[no description available]	low	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	aromatic ether; tertiary amino compound; tryptamine alkaloid	hallucinogen; plant metabolite
7,8-dihydroxyflavone	[no description available]	low	0	dihydroxyflavone	antidepressant; antineoplastic agent; antioxidant; plant metabolite; tropomyosin-related kinase B receptor agonist
anabasine	[no description available]	low	0	piperidine alkaloid; pyridine alkaloid	nicotinic acetylcholine receptor agonist; plant metabolite; teratogenic agent
acetovanillone	[no description available]	low	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
azelaic acid	[no description available]	low	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite
5-methoxypsoralen	[no description available]	low	0	5-methoxyfurocoumarin; organic heterotricyclic compound; psoralens	hepatoprotective agent; plant metabolite
2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one	[no description available]	low	0	aromatic ether; benzoxazine; cyclic hydroxamic acid; lactol	allelochemical; plant metabolite
caffeic acid	[no description available]	low	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
caffeine	[no description available]	low	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
beta-glycerophosphoric acid	[no description available]	low	0	glycerol monophosphate	Escherichia coli metabolite; plant metabolite
camphor, (+-)-isomer	[no description available]	low	0	bornane monoterpenoid; cyclic monoterpene ketone	plant metabolite
cetyl alcohol	[no description available]	low	0	hexadecanol; long-chain primary fatty alcohol	algal metabolite; flavouring agent; human metabolite; plant metabolite
chrysanthemic acid	[no description available]	low	0	cyclopropanes; monocarboxylic acid	plant metabolite
colchicine, (+-)-isomer	[no description available]	low	0	acetamides; alkaloid; aromatic ether; carbotricyclic compound	microtubule-destabilising agent; plant metabolite
danthron	[no description available]	low	0	dihydroxyanthraquinone	apoptosis inducer; plant metabolite
decanoic acid	[no description available]	low	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; anti-inflammatory agent; antibacterial agent; human metabolite; plant metabolite; volatile oil component
ellipticine	[no description available]	low	0	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene	antineoplastic agent; plant metabolite
embelin	[no description available]	low	0	dihydroxy-1,4-benzoquinones	antimicrobial agent; antineoplastic agent; hepatitis C protease inhibitor; plant metabolite
emodin	[no description available]	low	0	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor
beta-thujaplicin	[no description available]	low	0	cyclic ketone; enol; monoterpenoid	antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite
indole-3-carbinol	[no description available]	low	0	indolyl alcohol	antineoplastic agent; plant metabolite
indolepropionic acid	[no description available]	low	0	indol-3-yl carboxylic acid	auxin; human metabolite; plant metabolite
beta-lapachone	[no description available]	low	0	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite
lauric acid	[no description available]	low	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; antibacterial agent; plant metabolite
methoxsalen	[no description available]	low	0	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
phloretin	[no description available]	low	0	dihydrochalcones	antineoplastic agent; plant metabolite
4-aminobenzoic acid	[no description available]	low	0	aminobenzoate; aromatic amino-acid anion	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
protopine	[no description available]	low	0	dibenzazecine alkaloid	plant metabolite
safrole	[no description available]	low	0	benzodioxoles	flavouring agent; insecticide; metabolite; plant metabolite
sebacic acid	[no description available]	low	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human metabolite; plant metabolite
stearic acid	[no description available]	low	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	isothiocyanate; sulfoxide	antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite
theobromine	[no description available]	low	0	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent
triacetin	[no description available]	low	0	triglyceride	adjuvant; antifungal drug; food additive carrier; food emulsifier; food humectant; fuel additive; plant metabolite; solvent
undecylenic acid	[no description available]	low	0	undecenoic acid	antifungal drug; plant metabolite
reserpine	[no description available]	low	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
hydroxyproline	[no description available]	low	0	4-hydroxyproline; L-alpha-amino acid zwitterion	human metabolite; mouse metabolite; plant metabolite
dipropylenetriame	[no description available]	low	0	polyazaalkane	algal metabolite; plant metabolite
lysine	[no description available]	low	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
vincristine	[no description available]	low	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
phlorhizin	[no description available]	low	0	aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative	antioxidant; plant metabolite
leucine	[no description available]	low	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
ficusin	[no description available]	low	0	psoralens	plant metabolite
asparagine	[no description available]	low	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	pentanol; short-chain primary fatty alcohol	human metabolite; plant metabolite
threonine	[no description available]	low	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	dihydroxyanthraquinone	chromophore; dye; plant metabolite
isoleucine	[no description available]	low	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	alkane; gas molecular entity	plant metabolite; refrigerant
gibberellic acid	[no description available]	low	0	C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound	mouse metabolite; plant metabolite
isophorone	[no description available]	low	0	cyclic ketone; enone	plant metabolite; solvent
isoprene	[no description available]	low	0	alkadiene; hemiterpene; volatile organic compound	plant metabolite
isobutylamine	[no description available]	low	0	alkylamines	plant metabolite
isobutyric acid	[no description available]	low	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	carbobicyclic compound; monoterpene	fragrance; plant metabolite
alpha-pinene	[no description available]	low	0	pinene	plant metabolite
purpurin	[no description available]	low	0	trihydroxyanthraquinone	biological pigment; histological dye; plant metabolite
visnagin	[no description available]	low	0	aromatic ether; furanochromone; polyketide	anti-inflammatory agent; antihypertensive agent; EC 1.1.1.37 (malate dehydrogenase) inhibitor; phytotoxin; plant metabolite; vasodilator agent
2,6-dihydroxyanthraquinone	[no description available]	low	0	dihydroxyanthraquinone	antimutagen; plant metabolite
methyl n-methylanthranilate	[no description available]	low	0	benzoate ester; methyl ester; secondary amino compound; substituted aniline	animal metabolite; fungal metabolite; plant metabolite
gramine	[no description available]	low	0	aminoalkylindole; indole alkaloid; tertiary amino compound	antibacterial agent; antiviral agent; plant metabolite; serotonergic antagonist
2-furoic acid	[no description available]	low	0	furoic acid	bacterial xenobiotic metabolite; human xenobiotic metabolite; inhibitor; plant metabolite; Saccharomyces cerevisiae metabolite
piperitone	[no description available]	low	0	cyclic terpene ketone; p-menthane monoterpenoid	plant metabolite; volatile oil component
resacetophenone	[no description available]	low	0	dihydroxyacetophenone; resorcinols	plant metabolite
pseudoephedrine	[no description available]	low	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
pyrogallol 1,3-dimethyl ether	[no description available]	low	0	dimethoxybenzene; phenols	plant metabolite
isatin	[no description available]	low	0	indoledione	EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
phenothiazine	[no description available]	low	0	phenothiazine	ferroptosis inhibitor; plant metabolite; radical scavenger
synephrine	[no description available]	low	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
benzothiazole	[no description available]	low	0	benzothiazoles	environmental contaminant; plant metabolite; xenobiotic
2-methylbutanal	[no description available]	low	0	2-methyl-branched fatty aldehyde; methylbutanal	plant metabolite; Saccharomyces cerevisiae metabolite; volatile oil component
methylcyclopentane	[no description available]	low	0	cycloalkane; volatile organic compound	human metabolite; plant metabolite
phosphoribosyl pyrophosphate	[no description available]	low	0	5-O-phosphono-D-ribofuranosyl diphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite
2-methylvaleric acid	[no description available]	low	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	fatty acid ethyl ester	plant metabolite
methyl gallate	[no description available]	low	0	gallate ester	anti-inflammatory agent; antioxidant; plant metabolite
methylparaben	[no description available]	low	0	paraben	antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite
alpha phellandrene	[no description available]	low	0	cyclohexadiene; phellandrene	antimicrobial agent; plant metabolite; volatile oil component
gamma-terpinene	[no description available]	low	0	cyclohexadiene; monoterpene	antioxidant; human xenobiotic metabolite; plant metabolite; volatile oil component
alpha-terpinene	[no description available]	low	0	cyclohexadiene; monoterpene	plant metabolite; volatile oil component
styrene	[no description available]	low	0	styrenes; vinylarene; volatile organic compound	mouse metabolite; mutagen; plant metabolite
benzylamine	[no description available]	low	0	aralkylamine; primary amine	allergen; EC 3.5.5.1 (nitrilase) inhibitor; plant metabolite
phenyl ether	[no description available]	low	0	aromatic ether	plant metabolite
1,3-diphenylurea	[no description available]	low	0	phenylureas	cytokinin; plant metabolite
3-phenylpropanal	[no description available]	low	0	aldehyde; benzenes	flavouring agent; plant metabolite
2-ethylhexanol	[no description available]	low	0	primary alcohol	plant metabolite; volatile oil component
ethyl butyrate	[no description available]	low	0	butyrate ester	plant metabolite
12-hydroxy stearic acid	[no description available]	low	0	hydroxyoctadecanoic acid; secondary alcohol	bacterial xenobiotic metabolite; plant metabolite
methyl caproate	[no description available]	low	0	fatty acid methyl ester; hexanoate ester	flavouring agent; plant metabolite
propanethiol	[no description available]	low	0	alkanethiol	plant metabolite
allyl alcohol	[no description available]	low	0	primary allylic alcohol; propenol	antibacterial agent; fungicide; herbicide; insecticide; plant metabolite
isoamylamine	[no description available]	low	0	primary aliphatic amine	bacterial metabolite; plant metabolite
2-pentanone	[no description available]	low	0	methyl ketone; pentanone	plant metabolite
methylcyclohexane	[no description available]	low	0	cycloalkane; volatile organic compound	aprotic solvent; human metabolite; plant metabolite
n-pentanoic acid	[no description available]	low	0	short-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
propyl acetate	[no description available]	low	0	acetate ester	fragrance; plant metabolite
allyl cyanide	[no description available]	low	0	aliphatic nitrile; olefinic compound	antifeedant; neurotoxin; plant metabolite
ethyl formate	[no description available]	low	0	ethyl ester; formate ester	fumigant; plant metabolite
piperidine	[no description available]	low	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	medium-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
1-hexanol	[no description available]	low	0	hexanol; primary alcohol	alarm pheromone; antibacterial agent; fragrance; plant metabolite
ethyl stearate	[no description available]	low	0	long-chain fatty acid ethyl ester; octadecanoate ester	plant metabolite
heptanol	[no description available]	low	0	heptanol; primary alcohol	flavouring agent; fragrance; gap junctional intercellular communication inhibitor; plant metabolite
nonane	[no description available]	low	0	alkane	plant metabolite; volatile oil component
pelargonic acid	[no description available]	low	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	dialkyl ketone; methyl ketone	plant metabolite; rodenticide
octyl acetate	[no description available]	low	0	acetate ester	plant metabolite
decanaldehyde	[no description available]	low	0	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	antifungal agent; fragrance; plant metabolite
n-dodecane	[no description available]	low	0	alkane	plant metabolite
undecan-1-ol	[no description available]	low	0	primary alcohol; undecanol	flavouring agent; plant metabolite
undecanal	[no description available]	low	0	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	antimycobacterial drug; plant metabolite; volatile oil component
dodecanol	[no description available]	low	0	dodecanol; primary alcohol	bacterial metabolite; cosmetic; insect attractant; insecticide; pheromone; plant metabolite
1-tridecanol	[no description available]	low	0	long-chain primary fatty alcohol; tridecanol	bacterial metabolite; human metabolite; plant metabolite
myristyl alcohol	[no description available]	low	0	long-chain primary fatty alcohol; tetradecanol	pheromone; plant metabolite; volatile oil component
behenic acid	[no description available]	low	0	long-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
stearyl alcohol	[no description available]	low	0	long-chain primary fatty alcohol; octadecanol	algal metabolite; human metabolite; plant metabolite
eicosane	[no description available]	low	0	long-chain alkane	plant metabolite
3-hydroxy-3-methylbutene	[no description available]	low	0	olefinic compound; tertiary alcohol	animal metabolite; fragrance; pheromone; plant metabolite
2-chlorobenzoic acid	[no description available]	low	0	2-halobenzoic acid; monochlorobenzoic acid	plant hormone; plant metabolite
scoparone	[no description available]	low	0	aromatic ether; coumarins	anti-allergic agent; anti-inflammatory agent; antihypertensive agent; antilipemic drug; immunosuppressive agent; plant metabolite
dimethoxyphenylethylamine	[no description available]	low	0	alkaloid; aromatic ether; phenylethylamine	allergen; plant metabolite
ethyl-p-hydroxybenzoate	[no description available]	low	0	ethyl ester; paraben	antifungal agent; antimicrobial food preservative; phytoestrogen; plant metabolite
peucedanin	[no description available]	low	0	aromatic ether; furanocoumarin; lactone	plant metabolite
indolebutyric acid	[no description available]	low	0	indol-3-yl carboxylic acid	auxin; plant hormone; plant metabolite
2-aminothiophenol	[no description available]	low	0	aryl thiol; substituted aniline	plant metabolite
shikimic acid	[no description available]	low	0	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
citronellol	[no description available]	low	0	monoterpenoid	plant metabolite
ethyl acetoacetate	[no description available]	low	0	ethyl ester	antibacterial agent; flavouring agent; plant metabolite
2-hydroxypyridine	[no description available]	low	0	monohydroxypyridine	plant metabolite
hexanoic acid	[no description available]	low	0	medium-chain fatty acid; straight-chain saturated fatty acid	human metabolite; plant metabolite
n-heptane	[no description available]	low	0	alkane; volatile organic compound	non-polar solvent; plant metabolite
1-nonanol	[no description available]	low	0	nonanol; primary alcohol	antifungal agent; flavouring agent; plant metabolite; volatile oil component
citronellyl acetate	[no description available]	low	0	acetate ester; monoterpenoid	plant metabolite
chrysene	[no description available]	low	0	ortho-fused polycyclic arene	plant metabolite
azulene	[no description available]	low	0	azulenes; mancude carbobicyclic parent; ortho-fused bicyclic arene	plant metabolite; volatile oil component
ephedrine	[no description available]	low	0	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
pseudoephedrine hydrochloride	[no description available]	low	0	hydrochloride	plant metabolite
galantamine	[no description available]	low	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	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	methylcatechol	antioxidant; carcinogenic agent; hapten; human metabolite; plant metabolite
beta-erythroidine	[no description available]	low	0	delta-lactone; indole alkaloid; organic heterotetracyclic compound; tertiary amino compound	muscle relaxant; plant metabolite
glycyrrhetinic acid	[no description available]	low	0	cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid	immunomodulator; plant metabolite
pinane	[no description available]	low	0	carbobicyclic compound; monoterpene; terpenoid fundamental parent	plant metabolite
naphthazarin	[no description available]	low	0	hydroxy-1,4-naphthoquinone	acaricide; antibacterial agent; antineoplastic agent; apoptosis inducer; geroprotector; plant metabolite
aloe emodin	[no description available]	low	0	aromatic primary alcohol; dihydroxyanthraquinone	antineoplastic agent; plant metabolite
chrysophanic acid	[no description available]	low	0	dihydroxyanthraquinone	anti-inflammatory agent; antiviral agent; plant metabolite
emetine	[no description available]	low	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
reticulin	[no description available]	low	0	benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; isoquinolinol	plant metabolite
cytisine	[no description available]	low	0	alkaloid; bridged compound; lactam; organic heterotricyclic compound; secondary amino compound	nicotinic acetylcholine receptor agonist; phytotoxin; plant metabolite
thymoquinone	[no description available]	low	0	1,4-benzoquinones	adjuvant; anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; cardioprotective agent; plant metabolite
phenylpropanolamine	[no description available]	low	0	amphetamines; phenethylamine alkaloid	plant metabolite
4-hydroxyphenylethanol	[no description available]	low	0	phenols	anti-arrhythmia drug; antioxidant; cardiovascular drug; fungal metabolite; geroprotector; plant metabolite; protective agent
phloretic acid	[no description available]	low	0	hydroxy monocarboxylic acid	plant metabolite
citronellic acid	[no description available]	low	0	medium-chain fatty acid; monoterpenoid; monounsaturated fatty acid	flavouring agent; plant metabolite
isovaleric acid	[no description available]	low	0	branched-chain saturated fatty acid; methylbutyric acid; short-chain fatty acid	mammalian metabolite; plant metabolite
iberin	[no description available]	low	0	isothiocyanate; sulfoxide	apoptosis inducer; plant metabolite; quorum sensing inhibitor
16-hydroxypalmitic acid	[no description available]	low	0	hydroxypalmitic acid; omega-hydroxy-long-chain fatty acid	plant metabolite
arachidic acid	[no description available]	low	0	long-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
octacosanoic acid	[no description available]	low	0	straight-chain saturated fatty acid; ultra-long-chain fatty acid	plant metabolite
oleanolic acid	[no description available]	low	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite
ascaridole	[no description available]	low	0	organic heterobicyclic compound; organic peroxide; p-menthane monoterpenoid	antileishmanial agent; antinematodal drug; plant metabolite
abietic acid	[no description available]	low	0	abietane diterpenoid; monocarboxylic acid	plant metabolite
hematoxylin	[no description available]	low	0	organic heterotetracyclic compound; oxacycle; polyphenol; tertiary alcohol	histological dye; plant metabolite
podophyllotoxin	[no description available]	low	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
pyridoxamine dihydrochloride	[no description available]	low	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	indolyl alcohol	auxin; plant metabolite; Saccharomyces cerevisiae metabolite
hemimellitene	[no description available]	low	0	trimethylbenzene	neurotoxin; plant metabolite
syringic acid	[no description available]	low	0	benzoic acids; dimethoxybenzene; phenols	plant metabolite
6-methoxybenzoxazolinone	[no description available]	low	0	aromatic ether; benzoxazole	antibacterial agent; anticonvulsant; antifungal agent; muscle relaxant; plant metabolite
1,1-dimethoxyethane	[no description available]	low	0	acetal; diether	flavouring agent; plant metabolite
perillyl alcohol	[no description available]	low	0	limonene monoterpenoid	plant metabolite; volatile oil component
tricaprylin	[no description available]	low	0	octanoate ester; triglyceride	anticonvulsant; plant metabolite
senecioic acid	[no description available]	low	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	alkenyl alcohol; homoallylic alcohol; primary alcohol; volatile organic compound	plant metabolite
n-hexadecane	[no description available]	low	0	long-chain alkane	non-polar solvent; plant metabolite; volatile oil component
beta-phellandrene	[no description available]	low	0	phellandrene	plant metabolite
tristearin	[no description available]	low	0	triacylglycerol 54:0	Caenorhabditis elegans metabolite; plant metabolite
lignoceric acid	[no description available]	low	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	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	monohydroxybenzoic acid	Penicillium metabolite; plant metabolite
1-phenyl-1,2-propanedione	[no description available]	low	0	alpha-diketone; aromatic ketone	plant metabolite
2-methylcyclohexanone	[no description available]	low	0	cyclohexanones	flavouring agent; plant metabolite
isovalerylaldehyde	[no description available]	low	0	methylbutanal	flavouring agent; plant metabolite; Saccharomyces cerevisiae metabolite; volatile oil component
levulinic acid	[no description available]	low	0	oxopentanoic acid; straight-chain saturated fatty acid	plant metabolite
2-tridecanone	[no description available]	low	0	methyl ketone	flavouring agent; plant metabolite
octadecane	[no description available]	low	0	long-chain alkane	bacterial metabolite; plant metabolite
dimethylselenide	[no description available]	low	0	organoselenium compound	bacterial xenobiotic metabolite; plant metabolite
chorismic acid	[no description available]	low	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	p-menthane monoterpenoid; secondary alcohol	acaricide; plant metabolite; volatile oil component
4-carboxybenzaladehyde	[no description available]	medium	0	benzaldehydes; benzoic acids; monocarboxylic acid	plant metabolite
2-hexanol	[no description available]	low	0	hexanol; secondary alcohol	human metabolite; plant metabolite; semiochemical
ethyl palmitate	[no description available]	low	0	hexadecanoate ester; long-chain fatty acid ethyl ester	plant metabolite
2-nonanol	[no description available]	low	0	nonanol; secondary alcohol	bacterial metabolite; flavouring agent; pheromone; plant metabolite; rat metabolite; volatile oil component
n-propyl disulfide	[no description available]	low	0	organic disulfide	plant metabolite
tridecane	[no description available]	low	0	long-chain alkane	plant metabolite; volatile oil component
n-tetradecane	[no description available]	low	0	long-chain alkane	plant metabolite; volatile oil component
pentadecane	[no description available]	low	0	long-chain alkane	animal metabolite; plant metabolite; volatile oil component
heptadecane	[no description available]	low	0	long-chain alkane	plant metabolite; volatile oil component
nonadecane	[no description available]	low	0	long-chain alkane	plant metabolite; volatile oil component
n-heneicosane	[no description available]	low	0	long-chain alkane	pheromone; plant metabolite; volatile oil component
docosane	[no description available]	low	0	long-chain alkane	plant metabolite
octacosane	[no description available]	low	0	long-chain alkane	plant metabolite
nonacosane	[no description available]	low	0	long-chain alkane	plant metabolite; volatile oil component
bulbocapnine	[no description available]	low	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	methoxybenzenes	plant metabolite
2-pyrrolecarboxylic acid	[no description available]	low	0	pyrrolecarboxylic acid	plant metabolite
tridecanoic acid	[no description available]	low	0	long-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
n-tricosane	[no description available]	low	0	long-chain alkane	plant metabolite; volatile oil component
2-propylphenol	[no description available]	low	0	phenols	flavouring agent; plant metabolite
tetracosane	[no description available]	low	0	long-chain alkane	plant metabolite; volatile oil component
docosanol	[no description available]	low	0	docosanol; long-chain primary fatty alcohol	antiviral drug; plant metabolite
2-methylpyrrolidine	[no description available]	low	0	pyrrolidines	plant metabolite
2-nonanone	[no description available]	low	0	methyl ketone	plant metabolite
ethyl gallate	[no description available]	low	0	gallate ester	plant metabolite
3-methylfuran	[no description available]	low	0	furans; volatile organic compound	Aspergillus metabolite; environmental contaminant; fungal metabolite; Penicillium metabolite; plant metabolite
pentadecanoic acid	[no description available]	low	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; food component; human blood serum metabolite; plant metabolite
dihydroferulic acid	[no description available]	low	0	guaiacols; monocarboxylic acid; phenylpropanoid	antioxidant; human xenobiotic metabolite; mouse metabolite; plant metabolite
beta-pinene	[no description available]	low	0	pinene	plant metabolite
glycyrrhizic acid	[no description available]	low	0	enone; glucosiduronic acid; pentacyclic triterpenoid; tricarboxylic acid; triterpenoid saponin	EC 3.4.21.5 (thrombin) inhibitor; plant metabolite
d-alpha tocopherol	[no description available]	low	0	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite
selenomethionine	[no description available]	low	0	selenoamino acid; selenomethionines	plant metabolite
1-pentene-3-one	[no description available]	low	0	enone	flavouring agent; genotoxin; human metabolite; plant metabolite
dodecyldimethylamine oxide	[no description available]	low	0	tertiary amine oxide	detergent; plant metabolite
2-undecanol	[no description available]	low	0	secondary alcohol; undecanol	animal metabolite; flavouring agent; pheromone; plant metabolite; volatile oil component
digoxigenin	[no description available]	low	0	12beta-hydroxy steroid; 14beta-hydroxy steroid; 3beta-hydroxy steroid; 3beta-sterol	hapten; plant metabolite
heliamine	[no description available]	low	0	aromatic ether; diether; isoquinoline alkaloid; isoquinolines	plant metabolite
6h-dibenzo-(b,d)-pyran-6-one	[no description available]	low	0	benzochromenone	plant metabolite
diallyl disulfide	[no description available]	low	0	organic disulfide	antifungal agent; antineoplastic agent; plant metabolite
glaucine	[no description available]	low	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	eugenol; primary alcohol	plant metabolite
propyl benzoate	[no description available]	low	0	benzoate ester	antimicrobial food preservative; flavouring agent; plant metabolite
2-methoxy-1,4-naphthoquinone	[no description available]	low	0	1,4-naphthoquinones; enol ether	antimicrobial agent; metabolite; plant metabolite
tricosanoic acid	[no description available]	low	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	terpineol	plant metabolite
acetosyringone	[no description available]	low	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	2,3-saturated fatty aldehyde; long-chain fatty aldehyde	antimicrobial agent; plant metabolite; volatile oil component
2-ethylfuran	[no description available]	low	0	furans; volatile organic compound	bacterial metabolite; fragrance; Maillard reaction product; plant metabolite
sabinene	[no description available]	low	0	thujene	plant metabolite
palmatine	[no description available]	low	0	berberine alkaloid; organic heterotetracyclic compound	plant metabolite
n-butylbenzenesulfonamide	[no description available]	low	0	sulfonamide	neurotoxin; plant metabolite
furaneol	[no description available]	low	0	cyclic ketone; enol; furans	flavouring agent; fragrance; plant metabolite
methyl vanillate	[no description available]	low	0	aromatic ether; benzoate ester; phenols	antioxidant; plant metabolite
2-octanol	[no description available]	low	0	octanol; secondary alcohol	plant metabolite; volatile oil component
5-methoxyindole-2-carboxylic acid	[no description available]	low	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	an (S)-7,8,13,14-tetrahydroprotoberberine; canadine	plant metabolite
14-methylhexadecanoic acid	[no description available]	low	0	branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid	mammalian metabolite; plant metabolite
helenalin	[no description available]	low	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	organoselenium compound	bacterial metabolite; human xenobiotic metabolite; mammalian metabolite; plant metabolite
camptothecin	[no description available]	low	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
isopentenyladenosine	[no description available]	low	0	N-ribosyl-N(6)-isopentenyladenine; nucleoside analogue	antineoplastic agent; plant growth regulator; plant metabolite
dihydrocarvone	[no description available]	low	0	dihydrocarvones	plant metabolite
marmesin, (r)-isomer	[no description available]	low	0	marmesin	plant metabolite; rat metabolite; xenobiotic metabolite
4-hydroxybenzylcyanide	[no description available]	low	0	hydroxynitrile	plant metabolite
2,3,5-trimethylpyrazine	[no description available]	low	0	pyrazines	animal metabolite; bacterial metabolite; flavouring agent; pheromone; plant metabolite
tetradecanoylphorbol acetate	[no description available]	low	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
2,4-dihydroxy-1,4-benzoxazin-3-one	[no description available]	low	0	benzoxazine; cyclic hydroxamic acid; lactol	allelochemical; herbicide; phytotoxin; plant metabolite
precocene i	[no description available]	low	0	aromatic ether; chromenes	plant metabolite; precocenes
1-deoxynojirimycin	[no description available]	low	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	dihydrochalcones; disaccharide derivative; neohesperidoside	environmental contaminant; plant metabolite; sweetening agent; xenobiotic
zingerone	[no description available]	low	0	methyl ketone; monomethoxybenzene; phenols	anti-inflammatory agent; antiemetic; antioxidant; flavouring agent; fragrance; plant metabolite; radiation protective agent
myrcene	[no description available]	low	0	monoterpene	anabolic agent; anti-inflammatory agent; flavouring agent; fragrance; plant metabolite; volatile oil component
diacetone alcohol	[no description available]	low	0	beta-hydroxy ketone	plant metabolite
methyl tetradecanoate	[no description available]	low	0	fatty acid methyl ester	flavouring agent; fragrance; plant metabolite
nonanal	[no description available]	low	0	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	human metabolite; plant metabolite
tetradecanal	[no description available]	low	0	2,3-saturated fatty aldehyde; long-chain fatty aldehyde	bacterial metabolite; plant metabolite
silybin	[no description available]	low	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	epoxide; furanocoumarin; lactone	plant metabolite
amygdalin	[no description available]	low	0	cyanogenic glycoside; disaccharide derivative; gentiobioside	plant metabolite
colforsin	[no description available]	low	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
swainsonine	[no description available]	low	0	indolizidine alkaloid	antineoplastic agent; EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor; immunological adjuvant; plant metabolite
octyl gallate	[no description available]	low	0	gallate ester	food antioxidant; hypoglycemic agent; plant metabolite
vanillyl alcohol	[no description available]	low	0	benzyl alcohols; guaiacols	plant metabolite
benzylaminopurine	[no description available]	low	0	6-aminopurines	cytokinin; plant metabolite
allyl methyl disulfide	[no description available]	low	0	organic disulfide	plant metabolite; volatile oil component
octyl glucoside	[no description available]	low	0	beta-D-glucoside	plant metabolite
dihydrochalcone	[no description available]	low	0	dihydrochalcones	plant metabolite
ursolic acid	[no description available]	low	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	geroprotector; plant metabolite
betulinic acid	[no description available]	low	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
calanolide a	[no description available]	low	0	cyclic ether; delta-lactone; organic heterotetracyclic compound; secondary alcohol	HIV-1 reverse transcriptase inhibitor; plant metabolite
aica ribonucleotide	[no description available]	low	0	1-(phosphoribosyl)imidazolecarboxamide; aminoimidazole	cardiovascular drug; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
salvin	[no description available]	low	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	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	14alpha-methyl steroid; 3beta-sterol	mouse metabolite; plant metabolite
baccatin iii	[no description available]	low	0	acetate ester; benzoate ester; tetracyclic diterpenoid	plant metabolite
secoisolariciresinol	[no description available]	low	0	secoisolariciresinol	antidepressant; phytoestrogen; plant metabolite
solanidine	[no description available]	low	0	3beta-hydroxy-Delta(5)-steroid; solanid-5-en-3-ol; steroid alkaloid fundamental parent	plant metabolite; toxin
valerophenone	[no description available]	low	0	aromatic ketone	plant metabolite; volatile oil component
2,4,6-trihydroxyacetophenone	[no description available]	low	0	aromatic ketone; benzenetriol; methyl ketone	MALDI matrix material; plant metabolite
tangeretin	[no description available]	low	0	pentamethoxyflavone	antineoplastic agent; plant metabolite
djenkolic acid	[no description available]	low	0	dithioacetal; L-cysteine derivative; non-proteinogenic L-alpha-amino acid	plant metabolite; toxin
1-hexacosanol	[no description available]	low	0	hexacosanol; very long-chain primary fatty alcohol	insecticide; plant metabolite
actinidine	[no description available]	low	0	cyclopentapyridine; pyridine alkaloid	pheromone; plant metabolite
7-methylxanthine	[no description available]	low	0	oxopurine; purine alkaloid	human xenobiotic metabolite; mouse metabolite; plant metabolite
1-octacosanol	[no description available]	low	0	fatty alcohol 28:0; ultra-long-chain primary fatty alcohol	plant metabolite
suberosin	[no description available]	low	0	aromatic ether; coumarins	anticoagulant; plant metabolite
artemisinin	[no description available]	low	0	organic peroxide; sesquiterpene lactone	antimalarial; plant metabolite
isoscopoletin	[no description available]	low	0	aromatic ether; hydroxycoumarin	plant metabolite
methyl syringate	[no description available]	low	0	benzoate ester; dimethoxybenzene; phenols	plant metabolite
gallocatechol	[no description available]	low	0	catechin; flavan-3,3',4',5,5',7-hexol	antioxidant; food component; plant metabolite
hesperetin	[no description available]	low	0	3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone	antineoplastic agent; antioxidant; plant metabolite
sesamin	[no description available]	low	0	benzodioxoles; furofuran; lignan	antineoplastic agent; neuroprotective agent; plant metabolite
tetrahydroalstonine	[no description available]	low	0	methyl ester; organic heteropentacyclic compound; yohimban alkaloid	plant metabolite
nobiletin	[no description available]	low	0	methoxyflavone	antineoplastic agent; plant metabolite
lycorine	[no description available]	low	0	indolizidine alkaloid	anticoronaviral agent; antimalarial; plant metabolite; protein synthesis inhibitor
picropodophyllin	[no description available]	low	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antineoplastic agent; insulin-like growth factor receptor 1 antagonist; plant metabolite; tyrosine kinase inhibitor
vexibinol	[no description available]	low	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; tetrahydroxyflavanone	antimalarial; antimicrobial agent; antioxidant; plant metabolite
kaurenoic acid	[no description available]	low	0	ent-kaurane diterpenoid	anti-HIV-1 agent; antineoplastic agent; plant metabolite
beta-amyrin	[no description available]	low	0	pentacyclic triterpenoid; secondary alcohol	Aspergillus metabolite; plant metabolite
pinostrobin	[no description available]	low	0	monohydroxyflavanone; monomethoxyflavanone	antidote; plant metabolite
xanthomicrol	[no description available]	low	0	dihydroxyflavone; trimethoxyflavone	antineoplastic agent; plant metabolite
voacamine	[no description available]	low	0	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; plant metabolite
pulsatilla saponin a	[no description available]	low	0	disaccharide derivative; hydroxy monocarboxylic acid; pentacyclic triterpenoid; triterpenoid saponin	anti-inflammatory agent; plant metabolite
hederagenin	[no description available]	low	0	dihydroxy monocarboxylic acid; pentacyclic triterpenoid; sapogenin	plant metabolite
magnoflorine	[no description available]	low	0	aporphine alkaloid; quaternary ammonium ion	plant metabolite
brazilin	[no description available]	low	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	monoterpenoid indole alkaloid; organic heteroheptacyclic compound; tertiary amine oxide	plant metabolite
pinoresinol	[no description available]	low	0	pinoresinol	hypoglycemic agent; phytoestrogen; plant metabolite
dauricine	[no description available]	low	0	aromatic ether; bisbenzylisoquinoline alkaloid; isoquinolines; phenols; tertiary amino compound	plant metabolite
madecassic acid	[no description available]	low	0	monocarboxylic acid; pentacyclic triterpenoid; tetrol	antioxidant; plant metabolite
uvaretin	[no description available]	low	0	aromatic ether; dihydrochalcones; polyketide; resorcinol	antineoplastic agent; plant metabolite
fangchinoline	[no description available]	low	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	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; flavonoid phytoalexin; monomethoxyflavanone	antimycobacterial drug; plant metabolite
maslinic acid	[no description available]	low	0	dihydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; plant metabolite
indole-5-carboxylic acid	[no description available]	low	0	indolecarboxylic acid	plant metabolite
1,3,7,9-tetramethyluric acid	[no description available]	low	0	oxopurine; purine alkaloid	analgesic; anti-inflammatory agent; human xenobiotic metabolite; plant metabolite
phenylalanylleucine	[no description available]	low	0	dipeptide zwitterion; dipeptide	plant metabolite
ethyl protocatechuate	[no description available]	low	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	methoxybenzenes; toluenes	fragrance; plant metabolite
methylthioethanol	[no description available]	low	0	aliphatic sulfide; primary alcohol	plant metabolite; xenobiotic metabolite
cryptolepine	[no description available]	low	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	bridged compound; polycyclic olefin; sesquiterpene	plant metabolite; volatile oil component
loganin	[no description available]	low	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	alkanethiol; methyl ketone	plant metabolite; Saccharomyces cerevisiae metabolite
5,7-dimethoxyflavone	[no description available]	low	0	dimethoxyflavone	plant metabolite
loganic acid	[no description available]	low	0	alpha,beta-unsaturated monocarboxylic acid; cyclopentapyran; glucoside	plant metabolite
friedelin	[no description available]	low	0	cyclic terpene ketone; pentacyclic triterpenoid	anti-inflammatory drug; antipyretic; non-narcotic analgesic; plant metabolite
cholest-4-en-3-one	[no description available]	low	0	3-oxo-Delta(4) steroid; cholestanoid	human metabolite; plant metabolite
delta-tocopherol	[no description available]	low	0	tocopherol; vitamin E	food antioxidant; plant metabolite
cycloartenol	[no description available]	low	0	3beta-sterol; pentacyclic triterpenoid; phytosterols	plant metabolite
beta-peltatin	[no description available]	low	0	furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols	antineoplastic agent; plant metabolite
elemol	[no description available]	low	0	olefinic compound; sesquiterpenoid; tertiary alcohol	fragrance; plant metabolite
spathulenol	[no description available]	low	0	carbotricyclic compound; olefinic compound; sesquiterpenoid; tertiary alcohol	anaesthetic; plant metabolite; vasodilator agent; volatile oil component
mor-14	[no description available]	low	0	hydroxypiperidine; piperidine alkaloid; tertiary amino compound	anti-HIV agent; cardioprotective agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite
vestitol	[no description available]	low	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	anti-inflammatory agent; phytoalexin; plant metabolite
gamma-tocopherol	[no description available]	low	0	tocopherol; vitamin E	algal metabolite; food antioxidant; plant metabolite
orotidine	[no description available]	low	0	nucleoside; pyrimidinemonocarboxylic acid; uridines	bacterial metabolite; fungal metabolite; plant metabolite
sugiol	[no description available]	low	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	erythrose	plant metabolite
24-methylene cycloartanol	[no description available]	low	0	3beta-hydroxy steroid; pentacyclic triterpenoid	plant metabolite
panose	[no description available]	low	0	trisaccharide	plant metabolite
bursehernin	[no description available]	low	0	aromatic ether; benzodioxoles; butan-4-olide; lignan	plant metabolite
sesaminol	[no description available]	low	0	benzodioxoles; furofuran; organic hydroxy compound	antioxidant; plant metabolite
4',5,6,7-tetramethoxyflavone	[no description available]	low	0	tetramethoxyflavone	antimutagen; plant metabolite
gardenin b	[no description available]	low	0	monohydroxyflavone; tetramethoxyflavone	plant metabolite
quercetin 5,7,3',4'-tetramethyl ether	[no description available]	low	0	flavonols; tetramethoxyflavone	plant metabolite
sarsasapogenin, (3beta,5alpha,25r)-isomer	[no description available]	low	0	sapogenin	gout suppressant; plant metabolite
syringaresinol	[no description available]	low	0	aromatic ether; furofuran; lignan; polyether; polyphenol	plant metabolite
cyclolaudenol	[no description available]	low	0	3beta-hydroxy steroid; pentacyclic triterpenoid	plant metabolite
galgravin	[no description available]	low	0	aryltetrahydrofuran; dimethoxybenzene; lignan; ring assembly	bone density conservation agent; neuroprotective agent; plant metabolite; platelet aggregation inhibitor
erythrodiol	[no description available]	low	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	carbobicyclic compound; pinane monoterpenoid; secondary alcohol	GABA modulator; mouse metabolite; plant metabolite; volatile oil component
selenomethionine	[no description available]	low	0	amino acid zwitterion; selenomethionine	plant metabolite
deguelin	[no description available]	low	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
1,9-dideoxyforskolin	[no description available]	low	0	acetate ester; labdane diterpenoid; organic heterotricyclic compound	plant metabolite
daidzin	[no description available]	low	0	7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative	plant metabolite
triptolide	[no description available]	low	0	diterpenoid; epoxide; gamma-lactam; organic heteroheptacyclic compound	antispermatogenic agent; plant metabolite
indospicine	[no description available]	low	0	carboxamidine; non-proteinogenic L-alpha-amino acid	hepatotoxic agent; plant metabolite
cafestol	[no description available]	low	0	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; plant metabolite
nimbin	[no description available]	low	0	acetate ester; cyclic terpene ketone; enone; furans; limonoid; methyl ester; tetracyclic triterpenoid	pesticide; plant metabolite
neoeriocitrin	[no description available]	low	0	4'-hydroxyflavanones; disaccharide derivative; flavanone glycoside; neohesperidoside; trihydroxyflavanone	plant metabolite
kahweol	[no description available]	low	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	short-chain fatty acid anion; straight-chain saturated fatty acid anion	plant metabolite
liquiritigenin	[no description available]	low	0	4',7-dihydroxyflavanone	hormone agonist; plant metabolite
s-sulphocysteine	[no description available]	low	0	organic thiosulfate; S-substituted L-cysteine	human metabolite; plant metabolite
megestrol acetate	[no description available]	low	0	bridged compound; organic heterotetracyclic compound; secondary alcohol; sesquiterpene lactone; spiro compound; tertiary alcohol; tetrol	GABA antagonist; neurotoxin; phytogenic insecticide; plant metabolite
stachydrine	[no description available]	low	0	alkaloid; amino-acid betaine; N-methyl-L-alpha-amino acid	food component; human blood serum metabolite; plant metabolite
echinuline	[no description available]	low	0	2,5-diketopiperazines; indole alkaloid; indoles; olefinic compound	Aspergillus metabolite; marine metabolite; plant metabolite
cubebin	[no description available]	low	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	acetate ester; phenylpropanoid	antineoplastic agent; NF-kappaB inhibitor; plant metabolite
hydrangenol	[no description available]	low	0	dihydroisocoumarins; phenols	anti-allergic agent; plant metabolite
matairesinol	[no description available]	low	0	gamma-lactone; lignan; polyphenol	angiogenesis inhibitor; anti-asthmatic agent; phytoestrogen; plant metabolite
astilbin	[no description available]	low	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	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	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	ribulose phosphate	Escherichia coli metabolite; plant metabolite
swertisin	[no description available]	low	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	(2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone	antibacterial agent; plant metabolite
glabranin	[no description available]	low	0	(2S)-flavan-4-one; dihydroxyflavanone	plant metabolite
rubiadin	[no description available]	low	0	dihydroxyanthraquinone	antibacterial agent; antioxidant; hepatoprotective agent; plant metabolite
soranjidiol	[no description available]	low	0	dihydroxyanthraquinone	antibacterial agent; plant metabolite
skullcapflavone ii	[no description available]	low	0	dihydroxyflavone; tetramethoxyflavone	anti-asthmatic drug; plant metabolite
rubimaillin	[no description available]	low	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	2-methylbut-2-enoic acid	plant metabolite
psorospermin	[no description available]	low	0	epoxide; organic heterotetracyclic compound; xanthones	antineoplastic agent; plant metabolite
delphinidin	[no description available]	low	0	5-hydroxyanthocyanidin	antineoplastic agent; biological pigment; plant metabolite
sinensetin	[no description available]	low	0	pentamethoxyflavone	plant metabolite
n-methylserotonin	[no description available]	low	0	phenols; tryptamines	human metabolite; plant metabolite
lyxonic acid	[no description available]	low	0	lyxonic acid	plant metabolite
kolaviron	[no description available]	low	0	4'-methoxyflavanones; biflavonoid; dihydroflavonols; ring assembly; secondary alpha-hydroxy ketone	hepatoprotective agent; plant metabolite
spinosin	[no description available]	low	0	dihydroxyflavone; flavone C-glycoside; monomethoxyflavone	anxiolytic drug; plant metabolite
schizandrin b	[no description available]	low	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
acrovestone	[no description available]	low	0	acetophenones; aromatic ether; olefinic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite
cirsiliol	[no description available]	low	0	dimethoxyflavone; trihydroxyflavone	plant metabolite
isosakuranetin	[no description available]	low	0	(2S)-flavan-4-one; 4'-methoxyflavanones; dihydroxyflavanone; monomethoxyflavanone	plant metabolite
matteucinol	[no description available]	low	0	4'-methoxyflavanones; dihydroxyflavanone; monomethoxyflavanone	plant metabolite; radical scavenger
guvacoline	[no description available]	low	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	aporphine alkaloid; aromatic ether; organic heterotetracyclic compound; polyphenol; tertiary amino compound	plant metabolite
actinodaphine	[no description available]	low	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	enone; sesquiterpenoid	EC 3.1.1.7 (acetylcholinesterase) inhibitor; plant metabolite
isolariciresinol	[no description available]	low	0	guaiacols; lignan; polyphenol; primary alcohol	plant metabolite
4'-demethyldesoxypodophyllotoxin	[no description available]	low	0	furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes; phenols	antineoplastic agent; antioxidant; immunosuppressive agent; plant metabolite
t-cadinol	[no description available]	low	0	cadinane sesquiterpenoid; carbobicyclic compound; octahydronaphthalenes; tertiary alcohol	plant metabolite; volatile oil component
1-hydroxy-2-methylanthraquinone	[no description available]	low	0	monohydroxyanthraquinone	plant metabolite
nevadensin	[no description available]	low	0	dihydroxyflavone; trimethoxyflavone	plant metabolite
salvigenin	[no description available]	low	0	monohydroxyflavone; trimethoxyflavone	antilipemic drug; antineoplastic agent; apoptosis inhibitor; autophagy inducer; hypoglycemic agent; immunomodulator; neuroprotective agent; plant metabolite
secologanin	[no description available]	low	0	aldehyde; beta-D-glucoside; enoate ester; methyl ester; pyrans; secoiridoid glycoside	plant metabolite
columbianetin acetate	[no description available]	low	0	acetate ester; furanocoumarin	plant metabolite
maprounic acid	[no description available]	low	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	HIV-1 reverse transcriptase inhibitor; plant metabolite
acetyl aleuritolic acid	[no description available]	low	0	acetate ester; monocarboxylic acid; pentacyclic triterpenoid	antineoplastic agent; plant metabolite
myricanone	[no description available]	low	0	aromatic ether; cyclic ketone; diarylheptanoid; methoxybenzenes; phenols	antineoplastic agent; plant metabolite
glycyrrhetyl 3-monoglucuronide	[no description available]	low	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	3beta-hydroxy-Delta(5)-steroid; 7alpha-hydroxy steroid	metabolite; plant metabolite
capsidiol	[no description available]	low	0	eremophilane sesquiterpenoid; octahydronaphthalenes; sesquiterpene phytoalexin	antifungal agent; plant metabolite
phaseollin (isoflavan)	[no description available]	low	0	hydroxyisoflavans	plant metabolite
cirsilineol	[no description available]	low	0	dihydroxyflavone; trimethoxyflavone	antineoplastic agent; plant metabolite
secoxyloganin	[no description available]	low	0	beta-D-glucoside; dicarboxylic acid monoester; enoate ester; methyl ester; monosaccharide derivative; pyrans; secoiridoid glycoside	anti-allergic agent; antioxidant; plant metabolite
sclareol	[no description available]	low	0	labdane diterpenoid	antifungal agent; antimicrobial agent; apoptosis inducer; fragrance; plant metabolite
butrin	[no description available]	low	0	4'-hydroxyflavanones; flavanone glycoside; monohydroxyflavanone	anti-inflammatory agent; plant metabolite
diplopterol	[no description available]	low	0	hopanoid; pentacyclic triterpenoid; tertiary alcohol	plant metabolite
anacardic acid	[no description available]	low	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	cyclic ketone; gamma-lactone; organic heterotricyclic compound; pseudoguaianolide	anti-inflammatory agent; metabolite; plant metabolite
pluviatolide	[no description available]	low	0	aromatic ether; benzodioxoles; butan-4-olide; lignan; phenols	plant metabolite
pectolinarin	[no description available]	low	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	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	gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone; tertiary alcohol	anti-inflammatory agent; plant metabolite
helioxanthin	[no description available]	low	0	benzodioxoles; furonaphthodioxole; lignan	anti-HBV agent; antineoplastic agent; plant metabolite
(2S)-5,7-dihydroxy-6,8-dimethylflavanone	[no description available]	low	0	dihydroxyflavanone	EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; plant metabolite
medioresinol	[no description available]	low	0	dimethoxybenzene; furofuran; lignan; polyphenol	plant metabolite
5-heptadecylresorcinol	[no description available]	low	0	5-alkylresorcinol	antineoplastic agent; plant metabolite
(+)-epicatechin	[no description available]	low	0	catechin; polyphenol	cyclooxygenase 1 inhibitor; plant metabolite
kobusin	[no description available]	low	0	benzodioxoles; dimethoxybenzene; furofuran; lignan	plant metabolite
nootkatol	[no description available]	low	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	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	stilbenol	plant metabolite; xenobiotic metabolite
glycitin	[no description available]	low	0	7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; methoxyisoflavone; monosaccharide derivative	plant metabolite
benzyl d-glucopyranoside	[no description available]	low	0	benzenes; beta-D-glucoside	plant metabolite
chrysosplenol c	[no description available]	low	0	trihydroxyflavone; trimethoxyflavone	antineoplastic agent; antiviral agent; plant metabolite
5-o-methyllicoricidin	[no description available]	low	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	antibacterial agent; plant metabolite
(-)-gallocatechin gallate	[no description available]	low	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	aromatic ether; cyclic ketone; isoquinoline alkaloid; isoquinolines; organic heterotetracyclic compound	plant metabolite
santonin	[no description available]	low	0	botanical anti-fungal agent; santonin	plant metabolite
sandaracopimaric acid	[no description available]	low	0	monocarboxylic acid; pimarane diterpenoid; tricyclic diterpenoid	plant metabolite
sitosterol, (3beta)-isomer	[no description available]	low	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol	anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor
erythritol	[no description available]	low	0	butane-1,2,3,4-tetrol	antioxidant; human metabolite; plant metabolite
stigmastanol	[no description available]	low	0	3-hydroxy steroid; phytosterols	anticholesteremic drug; plant metabolite
vincaleukoblastine	[no description available]	low	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
lanosterol	[no description available]	low	0	14alpha-methyl steroid; 3beta-sterol; tetracyclic triterpenoid	bacterial metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
noscapine	[no description available]	low	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	cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	anti-inflammatory agent; metabolite; plant metabolite
methyl 3,4-dihydroxybenzoate	[no description available]	low	0	catechols; methyl ester	antioxidant; neuroprotective agent; plant metabolite
2-hydroxy-1,4-benzoxazin-3-one	[no description available]	low	0	benzoxazine; lactam; lactol	allelochemical; plant metabolite
menthofuran	[no description available]	low	0	1-benzofurans; monoterpenoid	nematicide; plant metabolite
lariciresinol	[no description available]	low	0	aromatic ether; lignan; oxolanes; phenols; primary alcohol	antifungal agent; plant metabolite
medicarpin	[no description available]	low	0	medicarpin	plant metabolite
anthricin	[no description available]	low	0	furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes	antineoplastic agent; apoptosis inducer; plant metabolite
indole-3-acetonitrile	[no description available]	low	0	indoles; nitrile	auxin; human xenobiotic metabolite; plant hormone; plant metabolite
taiwanin c	[no description available]	low	0	benzodioxoles; furonaphthodioxole; lignan	antineoplastic agent; plant metabolite; platelet aggregation inhibitor
sampangine	[no description available]	low	0	alkaloid; organic heterotetracyclic compound	antifungal agent; plant metabolite
isochamaejasmin	[no description available]	low	0	biflavonoid; hydroxyflavone	plant metabolite
norbelladine	[no description available]	low	0	catechols; phenethylamine alkaloid; polyphenol; secondary amino compound	plant metabolite
canavanine	[no description available]	low	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	phytogenic insecticide; plant metabolite
raffinose	[no description available]	low	0	raffinose family oligosaccharide; trisaccharide	mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
5-hydroxytryptophan	[no description available]	low	0	5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; plant metabolite
theanine	[no description available]	low	0	amino acid zwitterion; N(5)-alkyl-L-glutamine	geroprotector; neuroprotective agent; plant metabolite
ouabain	[no description available]	low	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
scopolin	[no description available]	low	0	beta-D-glucoside; coumarins; monosaccharide derivative	plant metabolite
stachyose	[no description available]	low	0	raffinose family oligosaccharide; tetrasaccharide	mouse metabolite; plant metabolite
isomaltulose	[no description available]	low	0	glycosylfructose	animal metabolite; plant metabolite; sweetening agent
discretamine	[no description available]	low	0	berberine alkaloid; organic heterotetracyclic compound	EC 5.99.1.2 (DNA topoisomerase) inhibitor; plant metabolite
mimosine	[no description available]	low	0	4-pyridones; amino acid zwitterion; non-proteinogenic L-alpha-amino acid	EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite
pelargonidin	[no description available]	low	0	5-hydroxyanthocyanidin	plant metabolite
(+)-limonene	[no description available]	low	0	limonene	plant metabolite
hygrine	[no description available]	low	0	1-(1-methylpyrrolidin-2-yl)acetone; pyrrolidine alkaloid	plant metabolite
arbutin	[no description available]	low	0	beta-D-glucoside; monosaccharide derivative	Escherichia coli metabolite; plant metabolite
conessine	[no description available]	low	0	steroid alkaloid; tertiary amino compound	antibacterial agent; antimalarial; H3-receptor antagonist; plant metabolite
canaline	[no description available]	low	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite
norpseudoephedrine	[no description available]	low	0	amphetamines; phenethylamine alkaloid	central nervous system stimulant; plant metabolite; psychotropic drug
sophoranone	[no description available]	low	0	4'-hydroxyflavanones; dihydroxyflavanone	plant metabolite
petunidin	[no description available]	low	0	5-hydroxyanthocyanidin	plant metabolite
glaucarubinone	[no description available]	low	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	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	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	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	alpha-L-arabinopyranoside; hydroxy monocarboxylic acid; monosaccharide derivative; pentacyclic triterpenoid; triterpenoid saponin	plant metabolite
notoginsenoside r1	[no description available]	low	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	benzenes; chromones	plant metabolite
ferruginol	[no description available]	low	0	abietane diterpenoid; carbotricyclic compound; meroterpenoid; phenols	antibacterial agent; antineoplastic agent; plant metabolite; protective agent
stevioside	[no description available]	low	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	amino-acid betaine; indole alkaloid; L-tryptophan derivative	fungal metabolite; plant metabolite; xenobiotic
absynthin	[no description available]	low	0	organic heteroheptacyclic compound; sesquiterpene lactone; triterpenoid	anti-inflammatory agent; plant metabolite
abyssinone i	[no description available]	low	0	monohydroxyflavanone; phenols	apoptosis inhibitor; plant metabolite
afzelechin	[no description available]	low	0	catechin; tetrahydroxyflavan	EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite
asebogenin	[no description available]	low	0	dihydrochalcones	plant metabolite
lactucin	[no description available]	low	0	azulenofuran; cyclic terpene ketone; enone; primary alcohol; secondary alcohol; sesquiterpene lactone	antimalarial; plant metabolite; sedative
picrotin	[no description available]	low	0	diol; epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol	plant metabolite
picrotoxinin	[no description available]	low	0	epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol	GABA antagonist; plant metabolite; serotonergic antagonist
solavetivone	[no description available]	low	0	cyclic ketone; sesquiterpenoid; spiro compound	phytoalexin; plant metabolite
thujopsene	[no description available]	low	0	thujopsene	plant metabolite
agnuside	[no description available]	low	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	dialdehyde; iridoid monoterpenoid; olefinic compound	animal metabolite; plant metabolite; volatile oil component
theasinensin a	[no description available]	low	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	trimethoxyflavone	anti-HSV-1 agent; plant metabolite
ammodendrine	[no description available]	low	0	acetamides; N-acylpiperidine; piperidine alkaloid	plant metabolite; teratogenic agent
carpaine	[no description available]	low	0	alkaloid; macrodiolide	cardiovascular drug; plant metabolite
myosmine	[no description available]	low	0	pyridine alkaloid; pyrroline	EC 1.14.14.14 (aromatase) inhibitor; mutagen; plant metabolite
dihydropinosylvin	[no description available]	low	0	diphenylethane; resorcinols	EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite
gingerol	[no description available]	low	0	beta-hydroxy ketone; guaiacols	antineoplastic agent; plant metabolite
mucronulatol	[no description available]	low	0	hydroxyisoflavans; methoxyisoflavan	antineoplastic agent; plant metabolite
ononin	[no description available]	low	0	4'-methoxyisoflavones; 7-hydroxyisoflavones 7-O-beta-D-glucoside; monosaccharide derivative	plant metabolite
yatein	[no description available]	low	0	benzodioxoles; butan-4-olide; lignan; methoxybenzenes	plant metabolite
solasodine	[no description available]	low	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	alpha-terpineol	plant metabolite
7-deoxyloganic acid	[no description available]	low	0	alpha,beta-unsaturated monocarboxylic acid; beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monosaccharide derivative; monoterpene glycoside	plant metabolite
epiafzelechin	[no description available]	low	0	catechin	plant metabolite
maleic acid	[no description available]	low	0	butenedioic acid	algal metabolite; mouse metabolite; plant metabolite
farnesol	[no description available]	low	0	farnesol	plant metabolite
retinol	[no description available]	low	0	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
oleic acid	[no description available]	low	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
cocaine	[no description available]	low	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
lycopene	[no description available]	low	0	acyclic carotene	antioxidant; plant metabolite
benzoylecgonine	[no description available]	low	0	benzoate ester; tropane alkaloid	epitope; human xenobiotic metabolite; marine xenobiotic metabolite; plant metabolite
zeatin	[no description available]	low	0	zeatin	plant metabolite
costatolide	[no description available]	low	0	cyclic ether; delta-lactone; organic heterotetracyclic compound; secondary alcohol	HIV-1 reverse transcriptase inhibitor; plant metabolite
euscaphic acid	[no description available]	low	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid; triol	plant metabolite
cinnamtannin b-1	[no description available]	low	0	proanthocyanidin	cyclooxygenase 2 inhibitor; plant metabolite
meso-dihydroguaiaretic acid	[no description available]	low	0	guaiacols; lignan	plant metabolite
8-prenylnaringenin	[no description available]	low	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone	plant metabolite; platelet aggregation inhibitor
gancaonin I	[no description available]	low	0	1-benzofurans; aromatic ether; resorcinols	antibacterial agent; plant metabolite
6,8-diprenylgenistein	[no description available]	low	0	7-hydroxyisoflavones	antibacterial agent; plant metabolite
glycyrin	[no description available]	low	0	aromatic ether; coumarins; hydroxyisoflavans	antibacterial agent; metabolite; plant metabolite
glyasperin D	[no description available]	low	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	plant metabolite
licoricidin	[no description available]	low	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	antibacterial agent; plant metabolite
pallidol	[no description available]	low	0	carbopolycyclic compound; polyphenol; stilbenoid	antifungal agent; antioxidant; plant metabolite
egonol	[no description available]	low	0	1-benzofurans; aromatic ether; benzodioxoles; primary alcohol	plant metabolite
23-hydroxytormentic acid	[no description available]	low	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid; tetrol	anti-inflammatory agent; plant metabolite
licocoumarone	[no description available]	low	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	beta-D-glucoside; flavanone glycoside; monohydroxyflavanone; monosaccharide derivative	anti-inflammatory agent; anticoronaviral agent; plant metabolite
sodium benzoate	[no description available]	low	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	alkanethiol; primary alcohol	flavouring agent; plant metabolite; Saccharomyces cerevisiae metabolite
3'-methoxyflavone	[no description available]	low	0	3'-methoxyflavones	plant metabolite
piperlactam s	[no description available]	low	0	alkaloid; aromatic ether; gamma-lactam; organic heterotetracyclic compound; phenols	anti-inflammatory agent; antioxidant; plant metabolite
piperyline	[no description available]	low	0	benzodioxoles; N-acylpyrrolidine; pyrrolidine alkaloid; tertiary carboxamide	antifungal agent; apoptosis inducer; plant metabolite
crotonic acid	[no description available]	low	0	2-butenoic acid	plant metabolite
rhapontin	[no description available]	low	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
methyl cinnamate	[no description available]	low	0	methyl cinnamate	antibacterial agent; fungal metabolite; nematicide; plant metabolite
2,4-hexadienal	[no description available]	low	0	hexadienal; polyunsaturated fatty aldehyde; volatile organic compound	flavouring agent; plant metabolite
epipinoresinol	[no description available]	low	0	pinoresinol	marine metabolite; plant metabolite
sinapinic acid	[no description available]	low	0	sinapic acid	MALDI matrix material; plant metabolite
piperine	[no description available]	low	0	benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide	food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite
squalene	[no description available]	low	0	triterpene	human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
coumestan	[no description available]	low	0	coumestans; delta-lactone	phytoestrogen; plant metabolite
antofine	[no description available]	low	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	cinnamaldehydes	apoptosis inducer; EC 1.14.13.39 (nitric oxide synthase) inhibitor; plant metabolite
n-methylproline	[no description available]	low	0	L-alpha-amino acid zwitterion; L-proline derivative; tertiary amino compound	human metabolite; plant metabolite
vedelianin	[no description available]	low	0	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	antineoplastic agent; plant metabolite
pedilstatin	[no description available]	low	0	acetate ester; phorbol ester; primary allylic alcohol	plant metabolite
nerol	[no description available]	low	0	3,7-dimethylocta-2,6-dien-1-ol	fragrance; plant metabolite; volatile oil component
cannabidiol	[no description available]	low	0	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite
amygdalin	[no description available]	low	0	amygdalin	antineoplastic agent; apoptosis inducer; plant metabolite
3,3',4,5'-tetrahydroxystilbene	[no description available]	low	0	catechols; polyphenol; resorcinols; stilbenol	antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor
dehydrovomifoliol	[no description available]	low	0	dehydrovomifoliol	plant metabolite
huperzine a	[no description available]	low	0	organic heterotricyclic compound; primary amino compound; pyridone; sesquiterpene alkaloid	EC 3.1.1.7 (acetylcholinesterase) inhibitor; neuroprotective agent; nootropic agent; plant metabolite
geranyl acetate	[no description available]	low	0	acetate ester; monoterpenoid	plant metabolite
coniferyl alcohol	[no description available]	low	0	guaiacols; phenylpropanoid	animal metabolite; monolignol; mouse metabolite; pheromone; plant metabolite; volatile oil component
geranylacetone	[no description available]	low	0	monoterpene ketone	flavouring agent; fragrance; plant metabolite; volatile oil component
aurapten	[no description available]	low	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]	low	0	cinnamate ester; tannin	food component; plant metabolite
goitrin	[no description available]	low	0	5-ethenyl-1,3-oxazolidine-2-thione	antiviral agent; plant metabolite
7-deacetylgedunin	[no description available]	low	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	labdane diterpenoid; tertiary alcohol	antibacterial agent; antineoplastic agent; plant metabolite
2-oxindole-3-acetic acid	[no description available]	low	0	indole-3-acetic acids; monocarboxylic acid; oxindoles	plant metabolite
bigelovin	[no description available]	low	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	berberine alkaloid; quaternary ammonium ion	EC 3.1.1.7 (acetylcholinesterase) inhibitor; plant metabolite
sideroxylin	[no description available]	low	0	dihydroxyflavone; monomethoxyflavone	plant metabolite
ladanein	[no description available]	low	0	dihydroxyflavone; dimethoxyflavone	antiviral agent; plant metabolite; radical scavenger
t-muurolol	[no description available]	low	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	carotenoid beta-end derivative; cyclic carotene	plant metabolite; provitamin A
citramalate	[no description available]	low	0	dicarboxylic acid dianion	human metabolite; plant metabolite
fraxin	[no description available]	low	0	aromatic ether; beta-D-glucoside; hydroxycoumarin	anti-inflammatory agent; hepatoprotective agent; plant metabolite
decaprenoic acid	[no description available]	low	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	catechin; gallate ester; polyphenol	plant metabolite
coniferin	[no description available]	low	0	aromatic ether; cinnamyl alcohol beta-D-glucoside; monosaccharide derivative	plant metabolite
biochanin a	[no description available]	low	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]	low	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	phytoestrogen; plant metabolite
gibberellin a1	[no description available]	low	0	C19-gibberellin; gibberellin monocarboxylic acid; lactone	plant metabolite
leukotriene a4	[no description available]	low	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	acylcholine	antioxidant; photosynthetic electron-transport chain inhibitor; plant metabolite
trans-phytol	[no description available]	low	0	diterpenoid; long-chain primary fatty alcohol	algal metabolite; plant metabolite; schistosomicide drug
vitexin	[no description available]	low	0	C-glycosyl compound; trihydroxyflavone	antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite; platelet aggregation inhibitor
acacetin	[no description available]	low	0	dihydroxyflavone; monomethoxyflavone	anticonvulsant; plant metabolite
luteolin	[no description available]	low	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
quercitrin	[no description available]	low	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]	low	0	hydroxycoumarin	plant growth regulator; plant metabolite
beta carotene	[no description available]	low	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	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	cinnamaldehydes; guaiacols; phenylpropanoid	antifungal agent; plant metabolite
herbacetin	[no description available]	low	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	cinnamate ester; cyclitol carboxylic acid	plant metabolite
luteolin-7-glucoside	[no description available]	low	0	beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antioxidant; plant metabolite
gossypetin	[no description available]	low	0	7-hydroxyflavonol; hexahydroxyflavone	plant metabolite
ayanin	[no description available]	low	0	dihydroxyflavone; trimethoxyflavone	plant metabolite
apiin	[no description available]	low	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	phytoene	plant metabolite
vitamin d 2	[no description available]	low	0	hydroxy seco-steroid; seco-ergostane; vitamin D	bone density conservation agent; nutraceutical; plant metabolite; rodenticide
sinapaldehyde	[no description available]	low	0	cinnamaldehydes; dimethoxybenzene; phenols	antifungal agent; plant metabolite
quercetin 3-o-glucopyranoside	[no description available]	low	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
3-methylkaempferol	[no description available]	low	0	monomethoxyflavone; trihydroxyflavone	plant metabolite
abscisic acid	[no description available]	low	0	2-cis-abscisic acid	plant hormone; plant metabolite
senecionine	[no description available]	low	0	lactone; pyrrolizidine alkaloid; tertiary alcohol	plant metabolite
gamma-linolenic acid	[no description available]	low	0	linolenic acid; omega-6 fatty acid	human metabolite; mouse metabolite; plant metabolite
petroselinic acid	[no description available]	low	0	octadec-6-enoic acid	plant metabolite
cyclobenzaprine	[no description available]	low	0	9,11,13-octadecatrienoic acid	antineoplastic agent; plant metabolite
jasmonic acid	[no description available]	low	0	oxo monocarboxylic acid	jasmonates; plant metabolite
2-hexenal, z-isomer	[no description available]	low	0	2-hexenal	antibacterial agent; flavouring agent; plant metabolite
aureusidin	[no description available]	low	0	hydroxyaurone	plant metabolite
butein	[no description available]	low	0	chalcones; polyphenol	antineoplastic agent; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; geroprotector; hypoglycemic agent; plant metabolite; radiosensitizing agent; tyrosine kinase inhibitor
antheraxanthin	[no description available]	low	0	epoxycarotenol	biological pigment; marine metabolite; plant metabolite
astaxanthine	[no description available]	low	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
capsanthin	[no description available]	low	0	carotenone	plant metabolite
gardenia yellow	[no description available]	low	0	diester; disaccharide derivative; diterpenoid	antioxidant; food colouring; histological dye; plant metabolite
cryptoxanthins	[no description available]	low	0	carotenol	antioxidant; biomarker; plant metabolite; provitamin A
lutein	[no description available]	low	0	carotenol	food colouring; plant metabolite
hispidol	[no description available]	low	0	hydroxyaurone	plant metabolite
isobutrin	[no description available]	low	0	beta-D-glucoside; chalcones; monosaccharide derivative; phenols	anti-inflammatory agent; hepatoprotective agent; plant metabolite
cassaine	[no description available]	low	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	benzenetriol; chalcones	plant metabolite
cucurbitacin i	[no description available]	low	0	cucurbitacin; tertiary alpha-hydroxy ketone	antineoplastic agent; plant metabolite
brassicasterol	[no description available]	low	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
harman	[no description available]	low	0	harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
esculetin	[no description available]	low	0	hydroxycoumarin	antioxidant; plant metabolite; ultraviolet filter
7-hydroxycoumarin	[no description available]	low	0	hydroxycoumarin	fluorescent probe; food component; plant metabolite
eupatolide	[no description available]	low	0	gamma-lactone; germacranolide; homoallylic alcohol; secondary alcohol	antineoplastic agent; plant metabolite
petasin	[no description available]	low	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
oleuropein	[no description available]	low	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	biflavonoid; hydroxyflavone; ring assembly	angiogenesis inhibitor; antiviral agent; cathepsin B inhibitor; P450 inhibitor; plant metabolite
apigenin dimethylether	[no description available]	low	0	dimethoxyflavone; monohydroxyflavone	plant metabolite
axillarin	[no description available]	low	0	dimethoxyflavone; tetrahydroxyflavone	plant metabolite
azaleatin	[no description available]	low	0	7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone	plant metabolite
chrysin	[no description available]	low	0	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite
chrysosplenetin b	[no description available]	low	0	dihydroxyflavone; tetramethoxyflavone	antiviral agent; plant metabolite
diosmetin	[no description available]	low	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
fisetin	[no description available]	low	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]	low	0	7-hydroxyflavonol; trihydroxyflavone	antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite
gossypin	[no description available]	low	0	7-hydroxyflavonol; glycosyloxyflavone; monosaccharide derivative; pentahydroxyflavone	neuroprotective agent; plant metabolite
hispidulin	[no description available]	low	0	monomethoxyflavone; trihydroxyflavone	anti-inflammatory agent; anticonvulsant; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite
euxanthone	[no description available]	low	0	phenols; xanthones	metabolite; plant metabolite
gartanin	[no description available]	low	0	polyphenol; xanthones	antineoplastic agent; plant metabolite
gentiacaulein	[no description available]	low	0	aromatic ether; polyphenol; xanthones	plant metabolite
gentisein	[no description available]	low	0	polyphenol; xanthones	plant metabolite
gentisin	[no description available]	low	0	aromatic ether; polyphenol; xanthones	plant metabolite
isogentisin	[no description available]	low	0	aromatic ether; polyphenol; xanthones	EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
hyperoside	[no description available]	low	0	beta-D-galactoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	hepatoprotective agent; plant metabolite
mangiferin	[no description available]	low	0	C-glycosyl compound; xanthones	anti-inflammatory agent; antioxidant; hypoglycemic agent; plant metabolite
mangostin	[no description available]	low	0	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite
1,8-dihydroxy-3,7-dimethoxyxanthone	[no description available]	low	0	aromatic ether; polyphenol; xanthones	plant metabolite
norathyriol	[no description available]	low	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	aromatic ether; polyphenol; xanthones	antioxidant; plant metabolite
kuwanon g	[no description available]	low	0	resorcinols; tetrahydroxyflavone	anti-inflammatory agent; plant metabolite
kuwanon h	[no description available]	low	0	resorcinols; tetrahydroxyflavone	plant metabolite
morusin	[no description available]	low	0	extended flavonoid; trihydroxyflavone	antineoplastic agent; plant metabolite
myricitrin	[no description available]	low	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	dihydroxyflavone; trimethoxyflavone	antiemetic; plant metabolite
quercetagetin	[no description available]	low	0	flavonols; hexahydroxyflavone	antioxidant; antiviral agent; plant metabolite
robinetin	[no description available]	low	0	7-hydroxyflavonol; pentahydroxyflavone	plant metabolite
robinin	[no description available]	low	0	dihydroxyflavone; glycosyloxyflavone	plant metabolite
santin	[no description available]	low	0	dihydroxyflavone; trimethoxyflavone	plant metabolite
7-hydroxy-6,4'-dimethoxyisoflavone	[no description available]	low	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	plant metabolite
coumestrol	[no description available]	low	0	coumestans; delta-lactone; polyphenol	anti-inflammatory agent; antioxidant; plant metabolite
daidzein	[no description available]	low	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
pterostilbene	[no description available]	low	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	7-hydroxyisoflavones; C-glycosyl compound	plant metabolite
5-o-caffeoylshikimic acid	[no description available]	low	0	alpha,beta-unsaturated monocarboxylic acid; carboxylic ester; catechols; cyclohexenecarboxylic acid	plant metabolite
cynarine	[no description available]	low	0	alkyl caffeate ester; quinic acid	plant metabolite
iridin	[no description available]	low	0	4'-methoxyisoflavones; 7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative	plant metabolite
acteoside	[no description available]	low	0	catechols; cinnamate ester; disaccharide derivative; glycoside; polyphenol	anti-inflammatory agent; antibacterial agent; antileishmanial agent; neuroprotective agent; plant metabolite
orobol	[no description available]	low	0	7-hydroxyisoflavones	anti-inflammatory agent; fungal metabolite; plant metabolite; radical scavenger
psi-baptigenin	[no description available]	low	0	7-hydroxyisoflavones; benzodioxoles	antiprotozoal drug; plant metabolite
psoralidin	[no description available]	low	0	coumestans; delta-lactone; polyphenol	estrogen receptor agonist; plant metabolite
puerarin	[no description available]	low	0	C-glycosyl compound; hydroxyisoflavone	plant metabolite
tectoridin	[no description available]	low	0	7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; methoxyisoflavone; monosaccharide derivative	plant metabolite
tectorigenin	[no description available]	low	0	7-hydroxyisoflavones; methoxyisoflavone	anti-inflammatory agent; plant metabolite
wighteone	[no description available]	low	0	7-hydroxyisoflavones	antifungal agent; plant metabolite
maytansine	[no description available]	low	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	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	monohydroxyflavone; monomethoxyflavone	antidiarrhoeal drug; antineoplastic agent; plant metabolite
2'-hydroxygenistein	[no description available]	low	0	hydroxyisoflavone	plant metabolite
astragalin	[no description available]	low	0	beta-D-glucoside; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone	plant metabolite; trypanocidal drug
cinnamyl acetate	[no description available]	low	0	acetate ester	plant metabolite
kaempferol-3-o-galactoside	[no description available]	low	0	beta-D-galactoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antifungal agent; plant metabolite
vitexin rhamnoside	[no description available]	low	0	C-glycosyl compound; disaccharide derivative; trihydroxyflavone	plant metabolite
kaempferol 3-o-sophoroside	[no description available]	low	0	sophoroside; trihydroxyflavone	plant metabolite
quercetin-3-o-sophoroside	[no description available]	low	0	sophoroside; tetrahydroxyflavone	antioxidant; plant metabolite
ethyl linoleate	[no description available]	low	0	long-chain fatty acid ethyl ester	anti-inflammatory agent; plant metabolite
plaunotol	[no description available]	low	0	diterpenoid; primary alcohol	anti-ulcer drug; antibacterial agent; antineoplastic agent; apoptosis inducer; nephroprotective agent; plant metabolite; vulnerary
sofalcone	[no description available]	low	0	aromatic ether; chalcones; monocarboxylic acid	anti-ulcer drug; antibacterial agent; gastrointestinal drug; plant metabolite
xanthoxin	[no description available]	low	0	apo carotenoid sesquiterpenoid; enal	plant growth retardant; plant metabolite
tocotrienol, alpha	[no description available]	low	0	tocotrienol; vitamin E	ferroptosis inhibitor; human metabolite; neuroprotective agent; plant metabolite
tocotrienol, beta	[no description available]	low	0	tocotrienol; vitamin E	antineoplastic agent; apoptosis inducer; plant metabolite
gamma-tocotrienol	[no description available]	low	0	tocotrienol; vitamin E	antineoplastic agent; antioxidant; apoptosis inducer; hepatoprotective agent; plant metabolite; radiation protective agent
tocotrienol, delta	[no description available]	low	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	chalcones; phenols	antihypertensive agent; plant metabolite
9-hydroxy-10,12-octadecadienoic acid	[no description available]	low	0	HODE; octadecadienoic acid	human metabolite; metabolite; mouse metabolite; plant metabolite
2-heptenal	[no description available]	low	0	enal; medium-chain fatty aldehyde; monounsaturated fatty aldehyde	plant metabolite; uremic toxin
2-nonenal, (trans)-isomer	[no description available]	low	0	enal; medium-chain fatty aldehyde; monounsaturated fatty aldehyde	plant metabolite
oleylamide	[no description available]	low	0	primary fatty amide	human metabolite; plant metabolite
1-monooleoyl-rac-glycerol	[no description available]	low	0	1-acylglycerol 18:1; monooleoylglycerol	plant metabolite
monolinolein	[no description available]	low	0	1-acylglycerol 18:2; rac-1-monoacylglycerol	antiviral agent; human metabolite; plant metabolite
methyl linoleate	[no description available]	low	0	fatty acid methyl ester	plant metabolite
vitamin k 1	[no description available]	low	0	phylloquinones; vitamin K	cofactor; human metabolite; plant metabolite
morphine	[no description available]	low	0	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
delta(3)-hexadecenoic acid	[no description available]	low	0	hexadecenoic acid	plant metabolite
stearidonic acid	[no description available]	low	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	icosatetraenoic acid	plant metabolite
casticin	[no description available]	low	0	dihydroxyflavone; tetramethoxyflavone	apoptosis inducer; plant metabolite
rosmarinic acid	[no description available]	low	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	phytocannabinoid; resorcinols	anti-inflammatory agent; antibacterial agent; antioxidant; appetite enhancer; cannabinoid receptor agonist; neuroprotective agent; plant metabolite
centaureidin	[no description available]	low	0	trihydroxyflavone; trimethoxyflavone	antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; plant metabolite
cinnamyl alcohol	[no description available]	low	0	cinnamyl alcohol	plant metabolite
7-demethylsuberosin	[no description available]	low	0	hydroxycoumarin	plant metabolite
kaempferol 3-o-rhamnoside	[no description available]	low	0	glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	anti-inflammatory agent; antibacterial agent; plant metabolite
syringin	[no description available]	low	0	beta-D-glucoside; dimethoxybenzene; monosaccharide derivative; primary alcohol	hepatoprotective agent; plant metabolite
3,3'-di-o-methylquercetin	[no description available]	low	0	3'-methoxyflavones; dimethoxyflavone; trihydroxyflavone	antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite
glycitein	[no description available]	low	0	7-hydroxyisoflavone; methoxyisoflavone	fungal metabolite; phytoestrogen; plant metabolite
glycycoumarin	[no description available]	low	0	aromatic ether; coumarins; resorcinols	antispasmodic drug; plant metabolite
quadrangularin a	[no description available]	low	0	indanes; polyphenol; stilbenoid	antioxidant; plant metabolite
isoginkgetin	[no description available]	low	0	aromatic ether; biflavonoid	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; plant metabolite
isomangiferin	[no description available]	low	0	C-glycosyl compound; polyphenol; xanthones	anti-HSV-1 agent; plant metabolite
isosalipurposide	[no description available]	low	0	beta-D-glucoside; chalcones; monosaccharide derivative; resorcinols	antioxidant; plant metabolite
kaempferol-3-o-rutinoside	[no description available]	low	0	disaccharide derivative; kaempferol O-glucoside; rutinoside; trihydroxyflavone	metabolite; plant metabolite; radical scavenger
luteolin 4'-o-glucoside	[no description available]	low	0	beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	plant metabolite
methyl linolenate	[no description available]	low	0	fatty acid methyl ester	insect attractant; plant metabolite
3'-o-methylorobol	[no description available]	low	0	hydroxyisoflavone; methoxyisoflavone	plant metabolite
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone	[no description available]	low	0	trihydroxyanthraquinone	plant metabolite
cudraflavone c	[no description available]	low	0	tetrahydroxyflavone	antibacterial agent; antineoplastic agent; plant metabolite
muromonab-cd3	[no description available]	low	0	extended flavonoid; pyranochromane; trihydroxyflavone	anti-inflammatory agent; plant metabolite
neobavaisoflavone	[no description available]	low	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	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; plant metabolite
beta-ocimene	[no description available]	low	0	beta-ocimene	plant metabolite
ombuine	[no description available]	low	0	dimethoxyflavone; flavonols; trihydroxyflavone	anti-inflammatory agent; plant metabolite
osthenol	[no description available]	low	0	hydroxycoumarin	antifungal agent; plant metabolite
5,7-dihydroxy-4',6-dimethoxyflavone	[no description available]	low	0	dihydroxyflavone; dimethoxyflavone	plant metabolite
tiliroside	[no description available]	low	0	cinnamate ester; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	plant metabolite
spiraeoside	[no description available]	low	0	beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antineoplastic agent; antioxidant; plant metabolite
rhamnazin	[no description available]	low	0	aromatic ether; dimethoxyflavone; phenols; trihydroxyflavone	antineoplastic agent; plant metabolite
kaempferol-7-methyl ether	[no description available]	low	0	flavonols; monomethoxyflavone; trihydroxyflavone	plant metabolite
oridonin	[no description available]	low	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	7,8-dimethylbenzo[g]pteridine-2,4-dione	plant metabolite
ergothioneine	[no description available]	low	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	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	3'-methoxyflavones; monohydroxyflavone; tetramethoxyflavone	plant metabolite
methyl ferulate	[no description available]	low	0	cinnamate ester; guaiacols; methyl ester	plant metabolite
lichexanthone	[no description available]	low	0	aromatic ether; phenols; xanthones	plant metabolite
glyceryl behenate	[no description available]	low	0	1-monoglyceride; fatty acid ester	antineoplastic agent; plant metabolite
ethyl oleate	[no description available]	low	0	long-chain fatty acid ethyl ester	acaricide; plant metabolite
2-pentenal	[no description available]	low	0	2-pentenal	plant metabolite
erucyl amide	[no description available]	low	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	apo carotenoid monoterpenoid; cyclic monoterpene ketone; enone	fragrance; plant metabolite; volatile oil component
piperic acid	[no description available]	low	0	alpha,beta-unsaturated monocarboxylic acid; benzodioxoles	plant metabolite
pipercallosidine	[no description available]	low	0	alkaloid; benzodioxoles; enamide; secondary carboxamide	apoptosis inducer; metabolite; plant metabolite
dehydrodiconiferyl alcohol	[no description available]	low	0	1-benzofurans; guaiacols; guaiacyl lignin; primary alcohol	anti-inflammatory agent; plant metabolite
noreugenin	[no description available]	low	0	chromones; resorcinols	plant metabolite
decussatin	[no description available]	low	0	aromatic ether; phenols; xanthones	plant metabolite
ecdysterone	[no description available]	low	0	14alpha-hydroxy steroid; 20-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; ecdysteroid; phytoecdysteroid	animal metabolite; plant metabolite
beta-aminopropionitrile fumarate (2:1)	[no description available]	low	0	fumarate salt	antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite
gamma-mangostin	[no description available]	low	0	phenols; xanthones	antineoplastic agent; plant metabolite; protein kinase inhibitor
irigenin	[no description available]	low	0	4'-methoxyisoflavones; hydroxyisoflavone	plant metabolite
5,4'-dihydroxy-7,3'-dimethoxyflavone	[no description available]	low	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	aromatic ether; phenols; xanthones	metabolite; plant metabolite
tetrahydroxycurcumin	[no description available]	low	0	beta-diketone; catechols; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; neuroprotective agent; plant metabolite
zerumbone	[no description available]	low	0	cyclic ketone; sesquiterpenoid	anti-inflammatory agent; glioma-associated oncogene inhibitor; plant metabolite
solanesol	[no description available]	low	0	nonaprenol; primary alcohol	plant metabolite
semilicoisoflavone b	[no description available]	low	0	7-hydroxyisoflavones	EC 1.1.1.21 (aldehyde reductase) inhibitor; plant metabolite
lespenefril	[no description available]	low	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	disaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antioxidant; plant metabolite
baohuoside i	[no description available]	low	0	glycosyloxyflavone	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; plant metabolite
avicularin	[no description available]	low	0	alpha-L-arabinofuranoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	hepatoprotective agent; plant metabolite
ochnaflavone	[no description available]	low	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	7-hydroxyisoflavones	plant metabolite
triolein	[no description available]	low	0	triglyceride	Caenorhabditis elegans metabolite; plant metabolite
resiniferatoxin	[no description available]	low	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	beta-D-glucoside; monosaccharide derivative; steroid saponin	plant metabolite
4-hydroxycordoin	[no description available]	low	0	aromatic ether; chalcones; polyphenol	anti-inflammatory agent; antibacterial agent; plant metabolite
n-feruloylserotonin	[no description available]	low	0	aromatic ether; cinnamamides; hydroxyindoles; phenols; secondary carboxamide	plant metabolite
zosteric acid	[no description available]	low	0	aryl sulfate; cinnamic acids	antifouling biocide; plant metabolite
eupomatenoid 6	[no description available]	low	0	benzofurans; phenols	anti-inflammatory agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; NF-kappaB inhibitor; plant metabolite
amaranthin betacyanin	[no description available]	low	0	disaccharide derivative; indoles; olefinic compound; tetrahydropyridine	biological pigment; plant metabolite
mevalonolactone	[no description available]	low	0	4-hydroxy-4-methyloxan-2-one	fungal metabolite; plant metabolite
coronardine	[no description available]	low	0	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound	antileishmanial agent; antineoplastic agent; apoptosis inducer; plant metabolite
germacrone	[no description available]	low	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	acetate ester; furans; limonoid; methyl ester; organic heteropentacyclic compound	antifeedant; insect growth regulator; plant metabolite
thunberginol f	[no description available]	low	0	catechols; gamma-lactone; isobenzofuranone	metabolite; plant metabolite
9-hydroxy-10,12,15-octadecatrienoic acid	[no description available]	low	0	9-HOTrE	plant metabolite
valerenic acid	[no description available]	low	0	carbobicyclic compound; monocarboxylic acid; sesquiterpenoid	GABA modulator; plant metabolite; sedative; volatile oil component
zeatin riboside	[no description available]	low	0	9-ribosylzeatin; nucleoside analogue	cytokinin; plant metabolite
acuminatin	[no description available]	low	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	beta-D-glucoside; cucurbitacin; monosaccharide derivative; tertiary alpha-hydroxy ketone; triterpenoid saponin	plant metabolite
perflubron	[no description available]	low	0	2-acyl-4-prenylphloroglucinol; chalcones	plant metabolite
tuberonic acid	[no description available]	low	0	cyclopentanones; homoallylic alcohol; oxo monocarboxylic acid; primary alcohol	jasmonates; plant metabolite
salvianolic acid B	[no description available]	low	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	aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative	anti-inflammatory agent; antioxidant; plant metabolite; sweetening agent
2',4',6'-trihydroxychalcone	[no description available]	low	0	chalcones	antifungal agent; plant metabolite
beta-tocopherol	[no description available]	low	0	tocopherol; vitamin E	food component; plant metabolite
nyasol	[no description available]	low	0	1,3-bis(p-hydroxyphenyl)pentane-1,4-diene	plant metabolite
ginsenoside rb2	[no description available]	low	0	12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	antiviral agent; hypoglycemic agent; plant metabolite
3-tyrosine	[no description available]	low	0	hydroxyphenylalanine; L-alpha-amino acid zwitterion; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; phenols	plant metabolite
alpha-solanine	[no description available]	low	0	glycoalkaloid; organic heterohexacyclic compound; steroid saponin; trisaccharide derivative	antineoplastic agent; apoptosis inducer; phytotoxin; plant metabolite
3-O-feruloyl-D-quinic acid	[no description available]	low	0	enoate ester; quinic acid	plant metabolite
ginsenoside f1	[no description available]	low	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	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	4-O-beta-D-glucosyl-4-coumaric acid	plant metabolite
ginsenoside m1	[no description available]	low	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	amino acid zwitterion; nicotianamine	chelator; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; plant metabolite
ginsenoside rb1	[no description available]	low	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	glycosyloxyisoflavone; hydroxyisoflavone; malonate ester; monosaccharide derivative	plant metabolite
ginsenoside f2	[no description available]	low	0	12beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	antineoplastic agent; apoptosis inducer; plant metabolite
ginsenoside rg3	[no description available]	low	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	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	guaiacols; lignan; oxolanes; polyphenol; tetrol	plant metabolite
kaempferol 7-o-glucoside	[no description available]	low	0	beta-D-glucoside; flavonols; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone	metabolite; plant metabolite; radical scavenger
3-epi-fagomine	[no description available]	low	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	methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	plant metabolite
demethylzeylasteral	[no description available]	low	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	cadinane sesquiterpenoid; carbobicyclic compound; octahydronaphthalenes; tertiary alcohol	fungicide; plant metabolite; volatile oil component
11-hydroxysugiol	[no description available]	low	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	benzenediols; monocarboxylic acid; pentacyclic triterpenoid	apoptosis inducer; plant metabolite
trilobacin	[no description available]	low	0	butenolide; polyketide; triol	antineoplastic agent; plant metabolite
2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone	[no description available]	low	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	diarylheptanoid; enone; phenols	plant metabolite
6-deacetylnimbin	[no description available]	low	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	diarylheptanoid; enone; phenols	plant metabolite
2,3-dihydro-3beta-methoxy withaferin A	[no description available]	low	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	acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid	antineoplastic agent; antiplasmodial drug; plant metabolite
dihydroartemisinic acid	[no description available]	low	0	carbobicyclic compound; monocarboxylic acid; octahydronaphthalenes; sesquiterpenoid	plant metabolite
atractyligenine	[no description available]	low	0	carbotetracyclic compound; dihydroxy monocarboxylic acid; ent-kaurane diterpenoid; tetracyclic diterpenoid	plant metabolite
dihydrogenistin	[no description available]	low	0	beta-D-glucoside; hydroxyisoflavanone; monosaccharide derivative	plant metabolite
n-benzylhexadecanamide	[no description available]	low	0	macamide; secondary carboxamide	EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; neuroprotective agent; plant metabolite
triphosphate	[no description available]	low	0	aldehyde; indole alkaloid; organic heteropentacyclic compound	plant metabolite
aspalathin	[no description available]	low	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	1-monoglyceride; aromatic ether; enoate ester; phenols	antioxidant; plant metabolite; ultraviolet filter
obolactone	[no description available]	low	0	2-pyranones; 4-pyranones	antineoplastic agent; plant metabolite
quinine	[no description available]	low	0	Aspidosperma alkaloid; epoxide; methyl ester; monoterpenoid indole alkaloid; organic heterohexacyclic compound	plant metabolite
alpha-onocerin	[no description available]	low	0	diol; olefinic compound; secondary alcohol; triterpenoid	plant metabolite
kalopanax saponin b	[no description available]	low	0	carboxylic ester; pentacyclic triterpenoid; triterpenoid saponin	anti-inflammatory agent; plant metabolite
ginsenoside rd	[no description available]	low	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	dehydrodiconiferyl alcohol	antioxidant; plant metabolite
viridiflorol	[no description available]	low	0	carbotricyclic compound; sesquiterpenoid; tertiary alcohol	anti-inflammatory agent; antifeedant; antimycobacterial drug; plant metabolite; volatile oil component
gedunin	[no description available]	low	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	biflavonoid; hydroxyflavanone; hydroxyflavone	plant metabolite
2alpha,3beta-dihydroxy-20(29)-lupen-28-oic acid	[no description available]	low	0	dihydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite
azadiradione	[no description available]	low	0	acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid	anti-inflammatory agent; antimycobacterial drug; plant metabolite
(-)-pinoresinol	[no description available]	low	0	pinoresinol	plant metabolite
oplodiol	[no description available]	low	0	carbobicyclic compound; octahydronaphthalenes; secondary alcohol; sesquiterpenoid; tertiary alcohol	plant metabolite
roburic acid	[no description available]	low	0	monocarboxylic acid; olefinic compound; tetracyclic triterpenoid	plant metabolite
ginsenoside rc	[no description available]	low	0	12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	hypoglycemic agent; plant metabolite
ginsenoside rh1	[no description available]	low	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	12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	antidepressant; antioxidant; cardioprotective agent; neuroprotective agent; NMDA receptor antagonist; plant metabolite
eriodictyol 7-O-beta-D-glucopyranoside	[no description available]	low	0	beta-D-glucoside; flavanone glycoside; monosaccharide derivative; trihydroxyflavanone	plant metabolite; radical scavenger
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one	[no description available]	low	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	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	aromatic ether; beta-D-glucoside; cinnamate ester; phenols	antioxidant; plant metabolite
astragaloside ii	[no description available]	low	0	beta-D-glucoside; monosaccharide derivative; oxolanes; pentacyclic triterpenoid; triterpenoid saponin	plant metabolite
ligstroside	[no description available]	low	0	beta-D-glucoside; diester; methyl ester; phenols; pyrans; secoiridoid glycoside	antineoplastic agent; plant metabolite
23-hydroxyursolic acid	[no description available]	low	0	dihydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite
dihydroconiferyl alcohol glucoside	[no description available]	low	0	beta-D-glucoside; monomethoxybenzene; monosaccharide derivative; primary alcohol	plant metabolite
oroxylin a-7-o-glucuronide	[no description available]	low	0	beta-D-glucosiduronic acid; glycosyloxyflavone; monohydroxyflavone; monomethoxyflavone; monosaccharide derivative	plant metabolite
5-deoxystrigol	[no description available]	low	0	indenofuran; strigolactone	plant metabolite
2,3-dihydrowithaferin A	[no description available]	low	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	cyclic terpene ketone; enone; tertiary alcohol; vibsane diterpenoid	plant growth retardant; plant metabolite
malonylgenistin	[no description available]	low	0	beta-D-glucoside; glycosyloxyisoflavone; hydroxyisoflavone; malonate ester; monosaccharide derivative	plant metabolite
adonixanthin	[no description available]	low	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	beta-D-glucoside; monosaccharide derivative; pentacyclic triterpenoid; tetrol; triterpenoid saponin	plant metabolite
cinnamtannin a2	[no description available]	low	0	proanthocyanidin	plant metabolite
benzoylaconine	[no description available]	low	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	abietadiene; carbotricyclic compound	plant metabolite
tricin 4'-o-(threo-beta-guaiacylglyceryl) ether	[no description available]	low	0	dimethoxybenzene; flavonolignan; polyphenol; primary alcohol; secondary alcohol	plant metabolite
triptotriterpenic acid a	[no description available]	low	0	diol; hydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite
cycloeucalenone	[no description available]	low	0	3-oxo-5alpha-steroid; cyclic terpene ketone; pentacyclic triterpenoid	plant metabolite
deoxyaconitine	[no description available]	low	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	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	carboxylic ester; pentacyclic triterpenoid; triterpenoid saponin	anti-inflammatory agent; plant metabolite
oxypaeoniflora	[no description available]	low	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	aromatic ether; homoisoflavonoid; polyphenol	angiogenesis modulating agent; plant metabolite
vindolinine	[no description available]	low	0	methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	plant metabolite
rubusoside	[no description available]	low	0	beta-D-glucoside; bridged compound; steviol glycoside; tetracyclic diterpenoid	plant metabolite; sweetening agent
madecassoside	[no description available]	low	0	carboxylic ester; pentacyclic triterpenoid; trisaccharide derivative; triterpenoid saponin	anti-inflammatory agent; antioxidant; antirheumatic drug; plant metabolite; vulnerary
benzoylmesaconine	[no description available]	low	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	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	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	beta-D-glucoside; quercetin O-glucoside; trihydroxyflavone	plant metabolite; trypanocidal drug
10-nonacosanol	[no description available]	low	0	secondary fatty alcohol; ultra-long-chain fatty alcohol	plant metabolite
(E)-sinapaldehyde 4-O-beta-D-glucopyranoside	[no description available]	low	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	diarylheptanoid; ketone; phenols	plant metabolite
kurarinol	[no description available]	low	0	4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone	anti-inflammatory agent; antioxidant; plant metabolite
2,3-dihydro-3beta-O-sulfate withaferin A	[no description available]	low	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	12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	plant metabolite
euonine	[no description available]	low	0	acetate ester; dihydroagarofuran sesquiterpenoid; macrolide; pyridine alkaloid; sesquiterpene alkaloid	immunosuppressive agent; insecticide; plant metabolite
picrinine	[no description available]	low	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	ginsenoside; glycoside; tetracyclic triterpenoid	antioxidant; plant metabolite
epoxyazadiradione	[no description available]	low	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	acetamides; hydroxyindoles; tryptamines	antineoplastic agent; apoptosis inducer; plant metabolite
salicylates	[no description available]	low	0	monohydroxybenzoate	plant metabolite
orobanchol	[no description available]	low	0	indenofuran; secondary alcohol; strigolactone	plant metabolite
oleuropein aglycone	[no description available]	low	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	Aspidosperma alkaloid; methyl ester; monoterpenoid indole alkaloid; organic heterotetracyclic compound; primary alcohol	plant metabolite
capilliposide b	[no description available]	low	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	alicyclic ketone; benzoate ester; bridged compound; cyclic acetal; lactol; monoterpenoid	neuromuscular agent; plant metabolite
maysin	[no description available]	low	0	disaccharide derivative; flavone C-glycoside; secondary alpha-hydroxy ketone; tetrahydroxyflavone	insecticide; neuroprotective agent; plant metabolite
cryptocaryol a	[no description available]	low	0	2-pyranones; pentol	plant metabolite
gypenoside LXXV	[no description available]	low	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	amino acid opine; carboxamide; delta-lactone; secondary amino compound; spiroketal; triol	plant metabolite
ebc-46	[no description available]	low	0	diester; diterpenoid; organic heteropentacyclic compound; phorbol ester	antineoplastic agent; plant metabolite; protein kinase C agonist
wilforgine	[no description available]	low	0	acetate ester; dihydroagarofuran sesquiterpenoid; furans; macrocyclic lactone; organic heteropentacyclic compound; pyridine alkaloid	plant metabolite
dehydrotomatine	[no description available]	low	0	alkaloid antibiotic; glycoside; steroid alkaloid; tetrasaccharide derivative	antifungal agent; phytotoxin; plant metabolite
biliatresone	[no description available]	low	0	aromatic ether; aromatic ketone; benzodioxoles; enone; phenols	plant metabolite; toxin
cyclic gmp	[no description available]	low	0	3',5'-cyclic purine nucleotide; guanyl ribonucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
deoxyinosine	[no description available]	low	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	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	GDP-D-mannose	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite
fosmidomycin	[no description available]	low	0	hydroxamic acid; phosphonic acids	antimicrobial agent; bacterial metabolite; EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor
glycocyamine	[no description available]	low	0	guanidinoacetic acids; zwitterion	bacterial metabolite; human metabolite; mouse metabolite; nutraceutical; rat metabolite
indole-3-acetaldehyde	[no description available]	low	0	indoleacetaldehyde	bacterial metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
nitrous oxide	[no description available]	low	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
deferoxamine	[no description available]	low	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
2,4-dichlorobenzoic acid	[no description available]	low	0	chlorobenzoic acid; dichlorobenzene	bacterial metabolite
2-aminophenol	[no description available]	low	0	aminophenol	bacterial metabolite
cycloheximide	[no description available]	low	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
tubercidin	[no description available]	low	0	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside	antimetabolite; antineoplastic agent; bacterial metabolite
methylethyl ketone	[no description available]	low	0	butanone; dialkyl ketone; methyl ketone; volatile organic compound	bacterial metabolite; polar aprotic solvent
pyocyanine	[no description available]	low	0	iminium betaine; phenazines	antibacterial agent; bacterial metabolite; biological pigment; virulence factor
acetopyrrothine	[no description available]	low	0	acetamides; dithiolopyrrolone antibiotic	angiogenesis inhibitor; antibacterial agent; antifungal agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite; protein synthesis inhibitor; toxin
2,4-di-tert-butylphenol	[no description available]	low	0	alkylbenzene; phenols	antioxidant; bacterial metabolite; marine metabolite
2-methylbutanoic acid	[no description available]	low	0	methylbutyric acid	bacterial metabolite; human metabolite
D-tryptophan	[no description available]	low	0	D-alpha-amino acid; tryptophan zwitterion; tryptophan	bacterial metabolite
diazooxonorleucine	[no description available]	low	0	amino acid zwitterion; diazo compound; ketone; non-proteinogenic L-alpha-amino acid	analgesic; antibacterial agent; antimetabolite; antineoplastic agent; antiviral agent; apoptosis inducer; bacterial metabolite; EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor; EC 3.5.1.2 (glutaminase) inhibitor; EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor; EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor; EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor; glutamine antagonist
4-hydroxyphenyllactic acid	[no description available]	low	0	2-hydroxy carboxylic acid; phenols	bacterial metabolite; human metabolite
beta-cyclocitral	[no description available]	low	0	monoterpenoid	bacterial metabolite
dipicolinic acid	[no description available]	low	0	pyridinedicarboxylic acid	bacterial metabolite
tropolone	[no description available]	low	0	alpha-hydroxy ketone; cyclic ketone; enol	bacterial metabolite; fungicide; toxin
toyocamycin	[no description available]	low	0	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; nitrile; ribonucleoside	antimetabolite; antineoplastic agent; apoptosis inducer; bacterial metabolite
pyrrolnitrin	[no description available]	low	0	alkaloid; C-nitro compound; monochlorobenzenes; pyrroles	antifungal drug; bacterial metabolite
tetramethylpyrazine	[no description available]	low	0	alkaloid; pyrazines	antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
vancomycin	[no description available]	low	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
spectinomycin	[no description available]	low	0	cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite
beta-hydroxymyristic acid	[no description available]	low	0	3-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; long-chain fatty acid	bacterial metabolite; human metabolite
2,4-diacetylphloroglucinol	[no description available]	low	0	aromatic ketone; benzenetriol; diketone; methyl ketone	antifungal agent; bacterial metabolite
streptomycin	[no description available]	low	0	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
vidarabine	[no description available]	low	0	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic
acetylpyruvic acid	[no description available]	low	0	beta-diketone; dioxo monocarboxylic acid	bacterial metabolite
daunorubicin	[no description available]	low	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
pyoluteorin	[no description available]	low	0	aromatic ketone; beta-hydroxy ketone; diol; organochlorine compound; organochlorine pesticide; polyketide; pyrroles; resorcinols	antibacterial agent; antifungal agent; apoptosis inducer; bacterial metabolite; marine metabolite
nigericin	[no description available]	low	0	polycyclic ether	antibacterial agent; antimicrobial agent; bacterial metabolite; potassium ionophore
enterobactin	[no description available]	low	0	catechols; crown compound; macrotriolide; polyphenol	bacterial metabolite; siderophore
staurosporine	[no description available]	low	0	indolocarbazole alkaloid; organic heterooctacyclic compound	apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector
norvaline	[no description available]	low	0	2-aminopentanoic acid; L-alpha-amino acid zwitterion	bacterial metabolite; hypoglycemic agent; neuroprotective agent
2-eicosanol	[no description available]	low	0	icosanol; secondary fatty alcohol	bacterial metabolite
sulfur	[no description available]	low	0	elemental sulfur; homomonocyclic compound	bacterial metabolite; fungal metabolite
toxoflavin	[no description available]	low	0	carbonyl compound; pyrimidotriazine	antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; toxin; virulence factor; Wnt signalling inhibitor
aureothricin	[no description available]	low	0	dithiolopyrrolone antibiotic; secondary carboxamide	angiogenesis inhibitor; antibacterial agent; bacterial metabolite; EC 2.7.7.6 (RNA polymerase) inhibitor
1-methylhydantoin	[no description available]	low	0	imidazolidine-2,4-dione	bacterial metabolite
12-aminododecanoic acid	[no description available]	low	0	medium-chain fatty acid; omega-amino fatty acid	bacterial metabolite
indole-3-carboxylic acid	[no description available]	low	0	indol-3-yl carboxylic acid	bacterial metabolite; human metabolite
oxetanocin a	[no description available]	low	0	diol; nucleoside analogue; oxetanes; primary alcohol	anti-HIV agent; antibacterial agent; bacterial metabolite
nucleocidin	[no description available]	low	0	6-aminopurines; adenosines; diol; organofluorine compound; sulfamate ester	antibacterial agent; bacterial metabolite; nucleoside antibiotic; protein synthesis inhibitor; trypanocidal drug
leupeptin	[no description available]	low	0	aldehyde; tripeptide	bacterial metabolite; calpain inhibitor; cathepsin B inhibitor; EC 3.4.21.4 (trypsin) inhibitor; serine protease inhibitor
furanomycin	[no description available]	low	0	dihydrofuran; non-proteinogenic L-alpha-amino acid	antibacterial agent; antimicrobial agent; bacterial metabolite
glucosaminic acid	[no description available]	low	0	amino acid zwitterion; gluconic acid derivative	bacterial metabolite
4-hydroxyphenylglycine	[no description available]	low	0	hydroxy-amino acid	bacterial metabolite
1-phenazinecarboxylic acid	[no description available]	low	0	aromatic carboxylic acid; monocarboxylic acid; phenazines	antifungal agent; antimicrobial agent; bacterial metabolite
4-methyl-3-hydroxyanthranilic acid	[no description available]	low	0	aminobenzoic acid; monohydroxybenzoic acid	bacterial metabolite
tetrangulol	[no description available]	low	0	p-quinones; phenols; tetraphenes	bacterial metabolite
poly-o-acetylserine	[no description available]	low	0	acetate ester; acetyl-L-serine; amino acid zwitterion	bacterial metabolite; Saccharomyces cerevisiae metabolite
alpha-aminopimelic acid	[no description available]	low	0	amino dicarboxylic acid; non-proteinogenic alpha-amino acid	bacterial metabolite
lanthionine	[no description available]	low	0	alanine derivative; non-proteinogenic alpha-amino acid; organic sulfide	bacterial metabolite
beta-n-methylamino-l-alanine	[no description available]	low	0	diamino acid; L-alanine derivative; non-proteinogenic L-alpha-amino acid; secondary amino compound	bacterial metabolite; neurotoxin
tabtoxin	[no description available]	low	0	dipeptide; L-threonine derivative; monobactam; secondary alcohol	bacterial metabolite; toxin
tabtoxinine beta-lactam	[no description available]	low	0	beta-lactam antibiotic; monobactam; non-proteinogenic L-alpha-amino acid; tertiary alpha-hydroxy ketone	apoptosis inducer; bacterial metabolite; EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor
n-acetyltyramine	[no description available]	low	0	acetamides; tyramines	animal metabolite; Aspergillus metabolite; bacterial metabolite; marine metabolite; quorum sensing inhibitor
mannostatin a	[no description available]	low	0	amino cyclitol; methyl sulfide; triol	bacterial metabolite; EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor; EC 3.2.1.24 (alpha-mannosidase) inhibitor
beta-lipotropin, gln(9)-	[no description available]	low	0	catechols; crown compound; macrocyclic lactone	bacterial metabolite; metabolite
ay 25545	[no description available]	low	0	acetate ester; aromatic ether; C-glycosyl compound; naphthoisochromene; olefinic compound; phenols; tertiary amine	antimicrobial agent; antineoplastic agent; bacterial metabolite
tilivalline	[no description available]	low	0	indole alkaloid; indoles; phenols; pyrrolobenzodiazepine	bacterial metabolite; microtubule-stabilising agent; toxin
3,7-dihydroxytropolone	[no description available]	low	0	alpha-hydroxy ketone; cyclic ketone; enol; triol	antineoplastic agent; bacterial metabolite
chrysobactin	[no description available]	low	0	catechols; dipeptide; monocarboxylic acid; primary alcohol; primary amino compound	bacterial metabolite; siderophore
pyrrolomycin a	[no description available]	low	0	antibiotic antifungal agent; C-nitro compound; organochlorine compound; pyrroles	antibacterial agent; bacterial metabolite
u-47929	[no description available]	low	0	alkaloid; aziridines; dipeptide; pyrrolidines	antibacterial agent; bacterial metabolite; DNA synthesis inhibitor
aminoimidazole ribotide	[no description available]	low	0	1-(phosphoribosyl)imidazole; aminoimidazole	bacterial metabolite
deferrioxamine e	[no description available]	low	0	cyclic desferrioxamine; cyclic hydroxamic acid; macrocycle	antineoplastic agent; bacterial metabolite; marine metabolite; siderophore
3-hydroxy-5-cholestenoic acid	[no description available]	low	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; cholestanoid; monocarboxylic acid; steroid acid	bacterial metabolite
gabaculine	[no description available]	low	0	5-aminocyclohexa-1,3-diene-1-carboxylic acid	bacterial metabolite; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
chloroorienticin b	[no description available]	low	0	cyclic ether; glycopeptide; heterodetic cyclic peptide; monosaccharide derivative; organochlorine compound; polyphenol	antimicrobial agent; bacterial metabolite
anisomycin	[no description available]	low	0	monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic	anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor
acetylglucosamine	[no description available]	low	0	N-acetyl-D-hexosamine; N-acetylglucosamine	bacterial metabolite
n-acetylneuraminic acid	[no description available]	low	0	N-acetylneuraminic acids	antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite
D-leucine	[no description available]	low	0	D-alpha-amino acid zwitterion; D-alpha-amino acid; leucine	bacterial metabolite; Saccharomyces cerevisiae metabolite
xylobiose	[no description available]	low	0	glycosylxylose	bacterial metabolite
pentostatin	[no description available]	low	0	coformycins	antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor
nanaomycin a	[no description available]	low	0	benzoisochromanequinone; monocarboxylic acid; organooxygen heterocyclic antibiotic; p-quinones	bacterial metabolite
yersiniabactin	[no description available]	low	0	monocarboxylic acid; phenols; secondary alcohol; thiazolidines	bacterial metabolite; siderophore
trichostatin a	[no description available]	low	0	antibiotic antifungal agent; hydroxamic acid; trichostatin	bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector
phosphoramidon	[no description available]	low	0	deoxyaldohexose phosphate; dipeptide	bacterial metabolite; EC 3.4.24.11 (neprilysin) inhibitor; EC 3.4.24.71 (endothelin-converting enzyme 1) inhibitor
cyanoginosin lr	[no description available]	low	0	microcystin	bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; environmental contaminant; xenobiotic
tacrolimus	[no description available]	low	0	macrolide lactam	bacterial metabolite; immunosuppressive agent
mupirocin	[no description available]	low	0	alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol	antibacterial drug; bacterial metabolite; protein synthesis inhibitor
stigmatellin	[no description available]	low	0	aromatic ether; chromones; olefinic compound; phenols	bacterial metabolite; quinol oxidation site inhibitor
aclarubicin	[no description available]	low	0	aminoglycoside; anthracycline; methyl ester; phenols; polyketide; tetracenequinones; trisaccharide derivative; zwitterion	antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
benzylideneacetone	[no description available]	low	0	benzylideneacetone	bacterial metabolite; EC 3.1.1.4 (phospholipase A2) inhibitor; flavouring agent; fragrance
flavin mononucleotide	[no description available]	low	0	flavin mononucleotide; vitamin B2	bacterial metabolite; coenzyme; cofactor; human metabolite; mouse metabolite
lincomycin	[no description available]	low	0	carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound	antimicrobial agent; bacterial metabolite
valinomycin	[no description available]	low	0	cyclodepsipeptide; macrocycle	antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore
6-oxopiperidine-2-carboxylate	[no description available]	low	0	delta-lactam; monocarboxylic acid	bacterial metabolite
orlistat	[no description available]	low	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
2-ketogluconate	[no description available]	low	0	keto-D-gluconic acid	bacterial metabolite
sf 2370	[no description available]	low	0	bridged compound; gamma-lactam; methyl ester; organic heterooctacyclic compound	antimicrobial agent; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; tropomyosin-related kinase B receptor antagonist
chuangxinmycin	[no description available]	low	0	indole alkaloid; monocarboxylic acid; thiinoindole	antibacterial agent; antimicrobial agent; bacterial metabolite; EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor
cyclic 3',5'-uridine monophosphate	[no description available]	low	0	3',5'-cyclic pyrimidine nucleotide	bacterial metabolite; mammalian metabolite; signalling molecule
schizokinen	[no description available]	low	0	2-hydroxy carboxylic acid; hydroxamic acid	bacterial metabolite; siderophore
5-hydroxybenzimidazole	[no description available]	low	0	benzimidazoles; phenols	bacterial metabolite; human metabolite; rat metabolite
n-(3-oxododecanoyl)homoserine lactone	[no description available]	low	0	N-(3-oxododecanoyl)homoserine lactone; N-acyl-L-homoserine lactone	bacterial metabolite
coelichelin	[no description available]	low	0	formamides; hydroxamic acid; tetrapeptide	bacterial metabolite; siderophore
tylosin	[no description available]	low	0	aldehyde; disaccharide derivative; enone; leucomycin; macrolide antibiotic; monosaccharide derivative	allergen; bacterial metabolite; environmental contaminant; xenobiotic
zeaxanthin	[no description available]	low	0	carotenol	antioxidant; bacterial metabolite; cofactor
amphotericin b	[no description available]	low	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
clavulanic acid	[no description available]	low	0	oxapenam	antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor
echinenone	[no description available]	low	0	carotenone	animal metabolite; bacterial metabolite; cofactor; marine metabolite
cembrene a	[no description available]	low	0	cycloalkatriene; diterpene; macrocycle	animal metabolite; bacterial metabolite; coral metabolite
soraphen a	[no description available]	low	0	cyclic hemiketal; ether; macrolide; olefinic compound	bacterial metabolite; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; teratogenic agent
neomethymycin	[no description available]	low	0	enone; macrolide antibiotic; monosaccharide derivative	bacterial metabolite
methymycin	[no description available]	low	0	enone; macrolide antibiotic; monosaccharide derivative	bacterial metabolite
narbomycin	[no description available]	low	0	enone; macrolide antibiotic; monosaccharide derivative	bacterial metabolite
picromycin	[no description available]	low	0	enone; macrolide antibiotic; monosaccharide derivative	bacterial metabolite
l 683590	[no description available]	low	0	ether; lactol; macrolide; secondary alcohol	antifungal agent; bacterial metabolite; immunosuppressive agent
acetylspiramycin	[no description available]	low	0	acetate ester; aldehyde; disaccharide derivative; ether; macrolide; tertiary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite
turimycin	[no description available]	low	0	leucomycin; macrolide antibiotic	bacterial metabolite
natamycin	[no description available]	low	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]	low	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
reumycin	[no description available]	low	0	carbonyl compound; pyrimidotriazine	antimicrobial agent; antineoplastic agent; bacterial metabolite
8-hydroxyadenine	[no description available]	low	0	6-aminopurines; heteroaryl hydroxy compound; nucleobase analogue; oxopurine	bacterial metabolite; human metabolite
lasalocid	[no description available]	low	0	beta-hydroxy ketone; monocarboxylic acid; monohydroxybenzoic acid; oxanes; oxolanes; polyether antibiotic; secondary alcohol; tertiary alcohol	bacterial metabolite; coccidiostat; ionophore
rhodopin	[no description available]	low	0	carotenol; tertiary alcohol	bacterial metabolite
spheroidenone	[no description available]	low	0	carotenone	bacterial metabolite
spirilloxanthin	[no description available]	low	0	carotenoid ether	bacterial metabolite
pederin	[no description available]	low	0	cyclic ketal; diol; oxanes; polyketide; secondary alcohol; secondary carboxamide	antimitotic; antineoplastic agent; bacterial metabolite; vesicant
virginiamycin factor s1	[no description available]	low	0	cyclodepsipeptide; macrolide antibiotic	antibacterial drug; bacterial metabolite
bialaphos	[no description available]	low	0	phosphinic acids; tripeptide	antimicrobial agent; bacterial metabolite
cystothiazole a	[no description available]	low	0	1,3-thiazoles; biaryl; enoate ester; enol ether; methyl ester; organonitrogen heterocyclic antibiotic	antifungal agent; antineoplastic agent; bacterial metabolite
pepstatin	[no description available]	low	0	pentapeptide; secondary carboxamide	bacterial metabolite; EC 3.4.23.* (aspartic endopeptidase) inhibitor
rifamycin sv	[no description available]	low	0	acetate ester; cyclic ketal; lactam; macrocycle; organic heterotetracyclic compound; polyphenol; rifamycins	antimicrobial agent; antitubercular agent; bacterial metabolite
tetrodotoxin	[no description available]	low	0	azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid	animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker
filipin	[no description available]	low	0	macrolide; olefinic compound; polyol	bacterial metabolite; fluorescent probe
bongkrekic acid	[no description available]	low	0	ether; olefinic compound; tricarboxylic acid	apoptosis inhibitor; ATP/ADP translocase inhibitor; bacterial metabolite; EC 2.5.1.18 (glutathione transferase) inhibitor; toxin
bafilomycin a1	[no description available]	low	0	cyclic hemiketal; macrolide antibiotic; oxanes	apoptosis inducer; autophagy inhibitor; bacterial metabolite; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; ferroptosis inhibitor; fungicide; potassium ionophore; toxin
sibiromycin	[no description available]	low	0	aminoglycoside antibiotic; hemiaminal; phenols; pyrrolobenzodiazepine	antineoplastic agent; bacterial metabolite
piericidin a	[no description available]	low	0	aromatic ether; methylpyridines; monohydroxypyridine; secondary allylic alcohol	antimicrobial agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor; mitochondrial respiratory-chain inhibitor
manumycin	[no description available]	low	0	enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol	antiatherosclerotic agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; marine metabolite
microcystin rr	[no description available]	low	0	microcystin; organic molecular entity	bacterial metabolite; environmental contaminant; xenobiotic
aurachin b	[no description available]	low	0	A-type aurachin; heteroaryl hydroxy compound; olefinic compound; quinoline N-oxide	bacterial metabolite
aurachin c	[no description available]	low	0	C-type aurachin; hydroxylamines; organic heterobicyclic compound; quinolone	antibacterial agent; bacterial metabolite; EC 1.8.5.4 (sulfide:quinone reductase) inhibitor
demycarosylturimycin h	[no description available]	low	0	aldehyde; disaccharide derivative; ether; macrolide; tertiary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite
asukamycin	[no description available]	low	0	enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite
bacterioruberin	[no description available]	low	0	C50 carotenoid; tertiary alcohol; tetrol	bacterial metabolite; biological pigment
elaiophylin	[no description available]	low	0	lactol; macrodiolide; monosaccharide derivative	antifungal agent; autophagy inhibitor; bacterial metabolite
kalimantacin a	[no description available]	low	0	alpha,beta-unsaturated monocarboxylic acid; carbamate ester; fatty acid derivative; secondary carboxamide	antibacterial agent; antimicrobial agent; bacterial metabolite
rosaramicin	[no description available]	low	0	aldehyde; enone; epoxide; macrolide antibiotic; monosaccharide derivative	bacterial metabolite
aureothin	[no description available]	low	0	4-pyranones; C-nitro compound; ketene acetal; olefinic compound; oxolanes	antibacterial agent; antifungal agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor
platensimycin	[no description available]	low	0	aromatic amide; cyclic ether; cyclic ketone; dihydroxybenzoic acid; monocarboxylic acid amide; polycyclic cage	antibacterial agent; antimicrobial agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor
fostriecin	[no description available]	low	0	2-pyranones; olefinic compound; phosphate monoester; polyketide; primary allylic alcohol; secondary allylic alcohol; triol	antineoplastic agent; apoptosis inhibitor; bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; topoisomerase II inhibitor
ci 940	[no description available]	low	0	hydroxy polyunsaturated fatty acid; leptomycin	antifungal agent; bacterial metabolite
cyclo(leucyl-prolyl)	[no description available]	low	0	dipeptide; homodetic cyclic peptide; pyrrolopyrazine	bacterial metabolite; marine metabolite
benzamidoxime	[no description available]	low	0	amidoxime	bacterial metabolite; genotoxin; mammalian metabolite
triacsin c	[no description available]	low	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
tmc-95a	[no description available]	low	0	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; bacterial metabolite; fungal metabolite; proteasome inhibitor
elloramycin	[no description available]	low	0	alpha-L-rhamnoside; carboxylic ester; enol ether; enone; methyl ester; monosaccharide derivative; phenols; tertiary alpha-hydroxy ketone; tetracenomycin	antimicrobial agent; bacterial metabolite
candicidin	[no description available]	low	0	macrolide antibiotic; polyene antibiotic	antifungal drug; bacterial metabolite
chlorobactene	[no description available]	low	0	benzenes; carotenoid phi-end group; carotenoid	bacterial metabolite
levodione	[no description available]	low	0	cyclohexanones	bacterial metabolite
holomycin	[no description available]	low	0	acetamides; dithiolopyrrolone antibiotic	antibacterial agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite
phevalin	[no description available]	low	0	benzenes; pyrazinone	bacterial metabolite; calpain inhibitor
fr 900848	[no description available]	low	0	cyclopropanes; nucleoside analogue; olefinic compound; polyketide; secondary carboxamide	antifungal agent; bacterial metabolite
fr 901464	[no description available]	low	0	acetate ester; cyclic hemiketal; monocarboxylic acid amide; pyrans; spiro-epoxide	antimicrobial agent; antineoplastic agent; bacterial metabolite
ossamycin	[no description available]	low	0	cyclic hemiketal; macrolide antibiotic; organic heterotetracyclic compound; secondary alcohol; spiroketal; tertiary alcohol	antineoplastic agent; bacterial metabolite
myxochelin b	[no description available]	low	0	benzamides; catechols	bacterial metabolite; siderophore
pentalenolactone f	[no description available]	low	0	alpha,beta-unsaturated monocarboxylic acid; organic heterotricyclic compound; sesquiterpene lactone; spiro-epoxide	bacterial metabolite
streptogramin b	[no description available]	low	0	cyclodepsipeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
3-hydroxyproline	[no description available]	low	0	3-hydroxyproline; amino acid zwitterion; D-proline derivative	bacterial metabolite; human metabolite
chromopyrrolic acid	[no description available]	low	0	indoles; pyrroledicarboxylic acid	bacterial metabolite
ym 216391	[no description available]	low	0	1,3-oxazoles; 1,3-thiazoles; azamacrocycle; benzenes; heterodetic cyclic peptide	antineoplastic agent; bacterial metabolite
validoxylamine a	[no description available]	low	0	amino cyclitol; secondary amino compound	animal metabolite; antibiotic insecticide; bacterial metabolite; EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor
32,33,34,35-bacteriohopanetetrol	[no description available]	low	0	hopanoid; tetrol	antimicrobial agent; bacterial metabolite; lipoxygenase inhibitor
zincophorin	[no description available]	low	0	pyrans	bacterial metabolite; ionophore
anticapsin	[no description available]	low	0	alicyclic ketone; epoxide; L-alanine derivative; L-alpha-amino acid zwitterion; non-proteinogenic L-alpha-amino acid	antimetabolite; antimicrobial agent; bacterial metabolite; EC 2.6.1.16 (glutamine--fructose-6-phosphate transaminase (isomerizing)) inhibitor
2-methyltryptophan	[no description available]	low	0	amino acid zwitterion; L-tryptophan derivative	bacterial metabolite
3'-hydroxyechinenone	[no description available]	low	0	carotenone; enone; secondary alcohol	bacterial metabolite; biological pigment; cofactor
tyrocidine	[no description available]	low	0	homodetic cyclic peptide; macrocycle; peptide antibiotic	antibacterial agent; bacterial metabolite
ly-146032	[no description available]	low	0	heterodetic cyclic peptide; lipopeptide antibiotic; lipopeptide; macrocycle; macrolide	antibacterial drug; bacterial metabolite; calcium-dependent antibiotics
thiazomycin	[no description available]	low	0	heterodetic cyclic peptide	antibacterial agent; antimicrobial agent; bacterial metabolite
ristocetin	[no description available]	low	0	glycopeptide; heterodetic cyclic peptide; macrocycle; tetrasaccharide derivative	antibacterial drug; antimicrobial agent; bacterial metabolite; platelet-activating factor receptor agonist
vanchrobactin	[no description available]	low	0	catechols; dipeptide; guanidines; monocarboxylic acid; primary alcohol; triol	bacterial metabolite; marine metabolite; siderophore
platencin	[no description available]	low	0	aromatic amide; cyclic ketone; dihydroxybenzoic acid; monocarboxylic acid amide; polycyclic cage	antibacterial agent; antimicrobial agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor
microcystin-lf	[no description available]	low	0	microcystin	bacterial metabolite; environmental contaminant; xenobiotic
avilamycin a	[no description available]	low	0	benzoate ester; cyclic acetal; dichlorobenzene; oligosaccharide derivative; ortho ester; oxaspiro compound; phenols; tertiary alpha-hydroxy ketone	antimicrobial agent; bacterial metabolite
decarbamylsaxitoxin	[no description available]	low	0	alkaloid; guanidines; ketone hydrate; paralytic shellfish toxin; primary alcohol; pyrrolopurine	bacterial metabolite; marine metabolite; neurotoxin; toxin; xenobiotic
borrelidin	[no description available]	low	0	aliphatic nitrile; diol; macrolide; monocarboxylic acid; secondary alcohol	antifungal agent; antimalarial; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite
arenaemycin e	[no description available]	low	0	alpha,beta-unsaturated monocarboxylic acid; organic heterotricyclic compound; sesquiterpene lactone; spiro-epoxide	antimicrobial agent; bacterial metabolite; EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor
marinopyrrole a	[no description available]	low	0	aromatic ketone; organochlorine compound; phenols; pyrroles	antibacterial agent; antimicrobial agent; antineoplastic agent; bacterial metabolite; marine metabolite
spiruchostatin b	[no description available]	low	0	macrocyclic lactone; organic disulfide; organic heterobicyclic compound; spiruchostatin	antineoplastic agent; bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor
chondramide c	[no description available]	low	0	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite
albaflavenone	[no description available]	low	0	carbocyclic antibiotic; carbotricyclic compound; cyclic terpene ketone; enone; sesquiterpenoid	bacterial metabolite
bacillaene	[no description available]	low	0	enamine; monocarboxylic acid amide; polyene antibiotic; polyketide; secondary alcohol	antibacterial agent; antimicrobial agent; bacterial metabolite
bacillithiol	[no description available]	low	0	glycoside; monosaccharide derivative; thiol	antioxidant; bacterial metabolite; cofactor
zwittermicin a	[no description available]	low	0	4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide; peptide antibiotic	antifungal agent; bacterial metabolite
tropodithietic acid	[no description available]	low	0	cyclic ketone; monocarboxylic acid; organic disulfide; organic heterobicyclic compound; organosulfur heterocyclic compound	antibacterial agent; bacterial metabolite; marine metabolite; signalling molecule; toxin
jadomycin b	[no description available]	low	0	glycoside; jadomycin; organic heteropentacyclic compound	antibacterial agent; antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor; bacterial metabolite
chondramide a	[no description available]	low	0	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite
staphyloferrin b	[no description available]	low	0	oxo carboxylic acid; tertiary alcohol; tricarboxylic acid amide; tricarboxylic acid	bacterial metabolite; siderophore
quinolobactin	[no description available]	low	0	aromatic ether; monohydroxyquinoline; phenols; quinolinemonocarboxylic acid	bacterial metabolite; siderophore
staphyloferrin a	[no description available]	low	0	D-ornithine derivative; pentacarboxylic acid; tertiary alcohol; tricarboxylic acid amide	bacterial metabolite; siderophore
roseoflavin	[no description available]	low	0	benzopteridine	antimicrobial agent; bacterial metabolite
marinoquinoline a	[no description available]	low	0	pyrroloquinoline	bacterial metabolite
coumermycin	[no description available]	low	0	aromatic amide; coumarins; glycoside; heteroarenecarboxylate ester; pyrroles	antimicrobial agent; antineoplastic agent; bacterial metabolite; DNA synthesis inhibitor; Hsp90 inhibitor; topoisomerase IV inhibitor
streptolydigin	[no description available]	low	0	bridged compound; cyclic ketal; enol; monocarboxylic acid amide; N-glycosyl compound; organic heterobicyclic compound; pyrrolidinone; spiro-epoxide	antimicrobial agent; bacterial metabolite; EC 2.7.7.6 (RNA polymerase) inhibitor
opt 80	[no description available]	low	0	carboxylic ester; glycoside; macrolide antibiotic; organochlorine compound; phenols	antibacterial drug; bacterial metabolite; EC 2.7.7.6 (RNA polymerase) inhibitor
brasilicardin a	[no description available]	low	0	benzoate ester; carbotricyclic compound; diterpenoid; N-acetyl-D-glucosaminide; non-proteinogenic alpha-amino acid; phenols	antimicrobial agent; antineoplastic agent; bacterial metabolite; immunosuppressive agent
zorbamycin	[no description available]	low	0	glycopeptide	antimicrobial agent; bacterial metabolite
phleomycin d1	[no description available]	low	0	bi-1,3-thiazole; chelate-forming peptide; disaccharide derivative; glycopeptide; guanidines	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite
acarbose	[no description available]	low	0	chondramide; indoles; organochlorine compound; phenols	antineoplastic agent; bacterial metabolite
duramycin	[no description available]	low	0	heterodetic cyclic peptide; macrocycle	antimicrobial agent; apoptosis inducer; bacterial metabolite
boromycin	[no description available]	low	0	macrodiolide; macrolide antibiotic; organoboron compound; oxaspiro compound; zwitterion	anti-HIV agent; antibacterial agent; bacterial metabolite
chondramide d	[no description available]	low	0	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite
1-tuberculosinyladenosine	[no description available]	low	0	organic cation	bacterial metabolite
aurachin a	[no description available]	low	0	A-type aurachin; furoquinoline; quinoline N-oxide; tertiary alcohol	antibacterial agent; bacterial metabolite
cyclooctatin	[no description available]	low	0	carbotricyclic compound; diterpenoid; primary alcohol; secondary alcohol; tertiary alcohol	bacterial metabolite; EC 3.1.1.5 (lysophospholipase) inhibitor
indolmycin	[no description available]	low	0	1,3-oxazoles; indoles; secondary amino compound	antibacterial agent; antimicrobial agent; bacterial metabolite; EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor
scytonemin	[no description available]	low	0	enone; organic heterotricyclic compound; organonitrogen heterocyclic compound; polyphenol; ring assembly	bacterial metabolite; biological pigment; ultraviolet filter
althiomycin	[no description available]	low	0	1,3-thiazoles; aldoxime; ether; gamma-lactam; pentapeptide; peptide antibiotic; primary alcohol; pyrroline; secondary carboxamide; tertiary carboxamide	antibacterial agent; bacterial metabolite; protein synthesis inhibitor
cerulomycin	[no description available]	low	0	aldoxime; aromatic ether; bipyridines; pyridine alkaloid	antineoplastic agent; bacterial metabolite; marine metabolite
undecylprodigiosin	[no description available]	low	0	alkaloid; aromatic ether; tripyrrole	antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; biological pigment; immunosuppressive agent; radiosensitizing agent
tilimycin	[no description available]	low	0	phenols; pyrrolobenzodiazepine	alkylating agent; apoptosis inducer; bacterial metabolite; toxin
o-phthalaldehyde	[no description available]	low	0	benzaldehydes; dialdehyde	epitope
4-(diethylamino)benzaldehyde	[no description available]	low	0	aromatic amine; benzaldehydes; tertiary amino compound	EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor

Condition	Relationship Strength	Studies
Abnormalities, Autosome	low	1
Abnormalities, Chromosomal	low	1
Abnormalities, Chromosome	low	1
Acute Confusional Senile Dementia	low	1
Alzheimer Dementia	low	1
Alzheimer Disease	low	1
Alzheimer Disease, Early Onset	low	1
Alzheimer Disease, Late Onset	low	1
Alzheimer Sclerosis	low	1
Alzheimer Syndrome	low	1
Alzheimer Type Senile Dementia	low	1
Alzheimer-Type Dementia (ATD)	low	1
Alzheimer's Disease	low	1
Alzheimer's Disease, Focal Onset	low	1
Alzheimer's Diseases	low	1
Autosome Abnormalities	low	1
B16 Melanoma	low	1
Cancer of Stomach	low	1
Cancer of the Stomach	low	1
Chromosomal Aberrations	low	1
Chromosome Aberrations	low	1
Chromosome Abnormalities	low	1
Cytogenetic Aberrations	low	1
Cytogenetic Abnormalities	low	1
Dementia, Alzheimer Type	low	1
Dementia, Presenile	low	1
Dementia, Primary Senile Degenerative	low	1
Dementia, Senile	low	1
Early Onset Alzheimer Disease	low	1
Experimental Melanoma	low	1
Experimental Melanomas	low	1
Familial Alzheimer Disease (FAD)	low	1
Focal Onset Alzheimer's Disease	low	1
Gastric Cancer	low	1
Gastric Cancer, Familial Diffuse	low	1
Gastric Neoplasms	low	1
Harding Passey Melanoma	low	1
Inflammation	low	1
Innate Inflammatory Response	low	1
Koch's Disease	low	1
Kochs Disease	low	1
Late Onset Alzheimer Disease	low	1
Melanoma, B16	low	1
Melanoma, Cloudman S91	low	1
Melanoma, Experimental	low	1
Melanoma, Harding-Passey	low	1
Melanomas, Experimental	low	1
Mycobacterium tuberculosis Infection	low	1
Neoplasms, Gastric	low	1
Neoplasms, Stomach	low	1
Neuroblastoma	low	1
Pregnancy	low	1
Presenile Alzheimer Dementia	low	1
Primary Senile Degenerative Dementia	low	1
Senile Dementia, Acute Confusional	low	1
Senile Dementia, Alzheimer Type	low	1
Stomach Cancer	low	1
Stomach Neoplasms	low	1
Tuberculosis	low	1

Article	Year
DNA single and double strand breaks induced by aliphatic and aromatic aldehydes in combination with copper (II). Free radical research, Volume: 24, Issue: 5	1996
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

4-anisaldehyde

Description

Cross-References

Synonyms (115)

Roles (4)

Drug Classes (1)

Protein Targets (16)

Potency Measurements

Inhibition Measurements

Biological Processes (65)

Molecular Functions (28)

Ceullar Components (13)

Bioassays (46)

Research

Studies (101)

Study Types

Research Highlights

Bioavailability (1)

Dosage (2)

Interactions (1)

Article	Year
Insight into the mechanism of water-insoluble dietary fiber from star anise (Illicium verum Hook. f.) on water-holding capacity of myofibrillar protein gels. Food chemistry, Oct-15, Volume: 423	2023
In-syringe reversed dispersive liquid-liquid microextraction for the evaluation of three important bioactive compounds of basil, tarragon and fennel in human plasma and urine samples. Journal of pharmaceutical and biomedical analysis, Mar-20, Volume: 121	2016
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]