rhodiocyanoside a

Description

rhodiocyanoside A: from Chinese natural medicine, Si Lie Hong Jing Tian, from the underground part of Rhodiola quadrifida; structure given in first source [MeSH]

rhodiocyanoside A : A cyanogenic glycoside that is (2Z)-2-methylbut-2-enenitrile attached to a beta-D-glucopyranosyloxy at position 4. Isolated from Rhodiola quadrifida, it exhibits anti-allergic activity. [CHeBI]

Cross-References

ID Source	ID
PubMed CID	6442274
SCHEMBL ID	6142700
CHEBI ID	66305
MeSH ID	M0253908

Synonyms (18)

Synonym
rhodiocyanoside a
2-butenenitrile, 4-(b-d-glucopyranosyloxy)-2-methyl-, (z)-
168433-86-1
multifidin
(z)-2-methyl-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile
(2z)-2-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}but-2-enenitrile
CHEBI:66305
(2z)-4-(beta-d-glucopyranosyloxy)-2-methylbut-2-enenitrile
SCHEMBL6142700
Q27134848
(z)-2-methyl-4-(((2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)but-2-enenitrile
(2z)-2-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-enenitrile
E89050
CS-0032264
HY-N5067
DTXSID701347062
AKOS040760676
FS-7185

Roles (2)

Role	Description
metabolite	Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
anti-allergic agent	A drug used to treat allergic reactions.

Drug Classes (4)

Class	Description
cyanogenic glycoside	A glycoside in which the aglycone contains a cyanide group. A cyanogenic glycoside can release poisonous hydrogen cyanide if acted upon by some enzyme.
beta-D-glucoside	Any D-glucoside in which the anomeric centre has beta-configuration.
monosaccharide derivative	A carbohydrate derivative that is formally obtained from a monosaccharide.
aliphatic nitrile	Any nitrile derived from an aliphatic compound.

Research

Studies (6)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	2 (33.33)	18.2507
2000's	1 (16.67)	29.6817
2010's	3 (50.00)	24.3611
2020's	0 (0.00)	2.80

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	6 (100.00%)	84.16%

Substance	Classes	Roles	Relationship Strength
amygdalin	cyanogenic glycoside; disaccharide derivative; gentiobioside	plant metabolite	low
linustatin	cyanogenic glycoside		low
neolinustatin	cyanogenic glycoside		low
dhurrin	beta-D-glucoside; cyanogenic glycoside; monosaccharide derivative; nitrile		low
lotaustralin	cyanogenic glycoside		low
linamarin	beta-D-glucoside		low
etoposide	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor	low
octyl glucoside	beta-D-glucoside	plant metabolite	low
monotropein	beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monocarboxylic acid; monosaccharide derivative	anti-inflammatory agent; metabolite	low
asperuloside	acetate ester; beta-D-glucoside; gamma-lactone; iridoid monoterpenoid; monosaccharide derivative	metabolite	low
loganin	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	low
4-nitrophenyl beta-d-glucoside	beta-D-glucoside; C-nitro compound	chromogenic compound	low
taxiphyllin	beta-D-glucoside; nitrile		low
miserotoxin	beta-D-glucoside; C-nitro compound	phytotoxin	low
tuliposide a	beta-D-glucoside; homoallylic alcohol; O-acyl carbohydrate		low
ginsenoside rh2	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	low
cleistanthin b	beta-D-glucoside; cleistanthins; monosaccharide derivative	alpha-adrenergic antagonist; antihypertensive agent; diuretic	low
picrocrocin	beta-D-glucoside		low
secologanin	aldehyde; beta-D-glucoside; enoate ester; methyl ester; pyrans; secoiridoid glycoside	plant metabolite	low
strictosidine	alkaloid ester; beta-D-glucoside; indole alkaloid; methyl ester		low
secoxyloganin	beta-D-glucoside; dicarboxylic acid monoester; enoate ester; methyl ester; monosaccharide derivative; pyrans; secoiridoid glycoside	anti-allergic agent; antioxidant; plant metabolite	low
benzyl d-glucopyranoside	benzenes; beta-D-glucoside	plant metabolite	low
phellamurin	4'-hydroxyflavanones; beta-D-glucoside; dihydroflavonols; flavanone glycoside; monosaccharide derivative; trihydroxyflavanone	metabolite	low
daphnin	beta-D-glucoside		low
scopolin	beta-D-glucoside; coumarins; monosaccharide derivative	plant metabolite	low
arbutin	beta-D-glucoside; monosaccharide derivative	Escherichia coli metabolite; plant metabolite	low
indican	beta-D-glucoside; exopolysaccharide; indolyl carbohydrate		low
cyanidin 3-o-beta-d-glucopyranoside	anthocyanin cation; beta-D-glucoside; monosaccharide derivative	metabolite	low
scilliroside	beta-D-glucoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; rodenticide	low
furostanol i	beta-D-glucoside; cyclic hemiketal; pentacyclic triterpenoid; steroid saponin; trisaccharide derivative	metabolite	low
ginsenoside re	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	low
ginsenoside rf	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	low
ginsenoside rg1	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	neuroprotective agent; pro-angiogenic agent	low
notoginsenoside r1	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	low
stevioside	beta-D-glucoside; bridged compound; diterpene glycoside; ent-kaurane diterpenoid; tetracyclic diterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; hypoglycemic agent; plant metabolite; sweetening agent	low
agnuside	benzoate ester; beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monosaccharide derivative; phenols; terpene glycoside	anti-inflammatory agent; cyclooxygenase 2 inhibitor; plant metabolite; pro-angiogenic agent	low
eugeniin	beta-D-glucoside; ellagitannin; gallate ester; lactone	anti-HSV-1 agent; antifungal agent; antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite	low
chrysophanol 8-o-glucoside	beta-D-glucoside; monohydroxyanthraquinone		low
acanthoside b	beta-D-glucoside	metabolite	low
7-deoxyloganic acid	alpha,beta-unsaturated monocarboxylic acid; beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monosaccharide derivative; monoterpene glycoside	plant metabolite	low
petunidin-3-glucoside	anthocyanin cation; aromatic ether; beta-D-glucoside	antioxidant; metabolite	low
malvidin-3-glucoside	anthocyanin cation; aromatic ether; beta-D-glucoside	metabolite	low
teniposide	aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
likviriton	beta-D-glucoside; flavanone glycoside; monohydroxyflavanone; monosaccharide derivative	anti-inflammatory agent; anticoronaviral agent; plant metabolite	low
4-methylumbelliferyl glucoside	beta-D-glucoside; coumarins; monosaccharide derivative	chromogenic compound	low
fraxin	aromatic ether; beta-D-glucoside; hydroxycoumarin	anti-inflammatory agent; hepatoprotective agent; plant metabolite	low
luteolin-7-glucoside	beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antioxidant; plant metabolite	low
apigetrin	beta-D-glucoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative	antibacterial agent; metabolite; non-steroidal anti-inflammatory drug	low
apiin	beta-D-glucoside; dihydroxyflavone; glycosyloxyflavone	EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; plant metabolite	low
quercetin 3-o-glucopyranoside	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	low
isobutrin	beta-D-glucoside; chalcones; monosaccharide derivative; phenols	anti-inflammatory agent; hepatoprotective agent; plant metabolite	low
esculin	beta-D-glucoside; hydroxycoumarin	antioxidant; metabolite	low
oleuropein	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	low
norswertianolin	beta-D-glucoside; xanthones	EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite	low
astringin	beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid	antineoplastic agent; antioxidant; metabolite	low
polydatin	beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid	anti-arrhythmia drug; antioxidant; geroprotector; hepatoprotective agent; metabolite; nephroprotective agent; potassium channel modulator	low
astragalin	beta-D-glucoside; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone	plant metabolite; trypanocidal drug	low
quercimeritrin	beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antioxidant; metabolite	low
syringin	beta-D-glucoside; dimethoxybenzene; monosaccharide derivative; primary alcohol	hepatoprotective agent; plant metabolite	low
isorhamnetin 3-o-glucoside	beta-D-glucoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone	metabolite	low
isosalipurposide	beta-D-glucoside; chalcones; monosaccharide derivative; resorcinols	antioxidant; plant metabolite	low
luteolin 4'-o-glucoside	beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	plant metabolite	low
spiraeoside	beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antineoplastic agent; antioxidant; plant metabolite	low
(E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside	beta-D-glucoside; resorcinols; stilbenoid	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; cyclooxygenase 2 inhibitor; platelet aggregation inhibitor	low
lyoniside	beta-D-glucoside; monosaccharide derivative; steroid saponin	plant metabolite	low
cucurbitacin I 2-O-beta-D-glucopyranoside	beta-D-glucoside; cucurbitacin; monosaccharide derivative; tertiary alpha-hydroxy ketone; triterpenoid saponin	plant metabolite	low
stigmasterol 3-o-beta-d-glucopyranoside	beta-D-glucoside; monosaccharide derivative; phytosterols; steroid saponin	metabolite	low
ginsenoside rb2	12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	antiviral agent; hypoglycemic agent; plant metabolite	low
rebaudioside a	beta-D-glucoside; rebaudioside; tetracyclic diterpenoid	sweetening agent	low
ginsenoside f1	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; 6alpha-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	apoptosis inhibitor; plant metabolite	low
ginsenoside m1	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	low
ginsenoside f2	12beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	antineoplastic agent; apoptosis inducer; plant metabolite	low
kaempferol 7-o-glucoside	beta-D-glucoside; flavonols; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone	metabolite; plant metabolite; radical scavenger	low
(+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside	beta-D-glucoside; dimethoxybenzene; lignan; monosaccharide derivative; polyphenol; primary alcohol; tetralins	antibacterial agent; antifungal agent; metabolite	low
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside	aromatic ether; benzyl alcohols; beta-D-glucoside; monosaccharide derivative; primary alcohol	antineoplastic agent; metabolite	low
dihydrogenistin	beta-D-glucoside; hydroxyisoflavanone; monosaccharide derivative	plant metabolite	low
ginsenoside rd	beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	anti-inflammatory drug; apoptosis inducer; immunosuppressive agent; neuroprotective agent; plant metabolite; vulnerary	low
ginsenoside rc	12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	hypoglycemic agent; plant metabolite	low
ginsenoside rh1	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	plant metabolite	low
ginsenoside rb3	12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	antidepressant; antioxidant; cardioprotective agent; neuroprotective agent; NMDA receptor antagonist; plant metabolite	low
eriodictyol 7-O-beta-D-glucopyranoside	beta-D-glucoside; flavanone glycoside; monosaccharide derivative; trihydroxyflavanone	plant metabolite; radical scavenger	low
1-O-feruloyl-beta-D-glucose	aromatic ether; beta-D-glucoside; cinnamate ester; phenols	antioxidant; plant metabolite	low
astragaloside ii	beta-D-glucoside; monosaccharide derivative; oxolanes; pentacyclic triterpenoid; triterpenoid saponin	plant metabolite	low
ligstroside	beta-D-glucoside; diester; methyl ester; phenols; pyrans; secoiridoid glycoside	antineoplastic agent; plant metabolite	low
dihydroconiferyl alcohol glucoside	beta-D-glucoside; monomethoxybenzene; monosaccharide derivative; primary alcohol	plant metabolite	low
malonylgenistin	beta-D-glucoside; glycosyloxyisoflavone; hydroxyisoflavone; malonate ester; monosaccharide derivative	plant metabolite	low
niga-ichigoside f1	beta-D-glucoside; monosaccharide derivative; pentacyclic triterpenoid; tetrol; triterpenoid saponin	plant metabolite	low
ginsenoside rg2	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	low
oxypaeoniflora	4-hydroxybenzoate ester; beta-D-glucoside; bridged compound; cyclic acetal; lactol; monoterpene glycoside	plant metabolite	low
rubusoside	beta-D-glucoside; bridged compound; steviol glycoside; tetracyclic diterpenoid	plant metabolite; sweetening agent	low
albiflorin	benzoate ester; beta-D-glucoside; bridged compound; gamma-lactone; monoterpene glycoside; secondary alcohol	neuroprotective agent; plant metabolite	low
quercetin 3-o-glucoside-7-o-rhamnoside	beta-D-glucoside; quercetin O-glucoside; trihydroxyflavone	plant metabolite; trypanocidal drug	low
(E)-sinapaldehyde 4-O-beta-D-glucopyranoside	beta-D-glucoside; cinnamaldehydes; dimethoxybenzene; monosaccharide derivative	plant metabolite	low
gypenoside XVII	12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	plant metabolite	low
gardenoside	beta-D-glucoside; cyclopentapyran; enoate ester; methyl ester; monosaccharide derivative; tertiary alcohol	metabolite	low
avenacoside b	beta-D-glucoside; hexacyclic triterpenoid; spiroketal; steroid saponin; tetrasaccharide derivative	metabolite	low
gypenoside LXXV	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	plant metabolite	low
rebaudioside m	beta-D-glucoside; rebaudioside; tetracyclic diterpenoid	sweetening agent	low
phlorhizin	aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative	antioxidant; plant metabolite	low
cytarabine	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent	low
sisomicin	amino cyclitol glycoside; aminoglycoside antibiotic; beta-L-arabinoside; monosaccharide derivative		low
epirubicin	aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
idarubicin	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative		low
baicalin	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	low
4-nitrophenylgalactoside	beta-D-galactoside; monosaccharide derivative	affinity label	low
methyl alpha-d-galactopyranoside	alpha-D-galactoside; methyl D-galactoside; monosaccharide derivative		low
4-methylumbelliferyl glucuronide	beta-D-glucosiduronic acid; coumarins; monosaccharide derivative	antineoplastic agent; chromogenic compound; hyaluronan synthesis inhibitor	low
prunin protein, prunus	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; flavanone 7-O-beta-D-glucoside; monosaccharide derivative	antibacterial agent; antilipemic drug; hypoglycemic agent; metabolite	low
4-nitrophenyl alpha-glucoside	alpha-D-glucoside; C-nitro compound; monosaccharide derivative	chromogenic compound	low
digoxigenin-mono(digitoxoside)	cardenolide glycoside; digitoxoside; monosaccharide derivative; steroid saponin	metabolite	low
4-methylumbelliferyl-galactopyranoside	beta-D-galactoside; coumarins; monosaccharide derivative	chromogenic compound	low
methyl beta-galactoside	beta-D-galactoside; methyl D-galactoside; monosaccharide derivative		low
daidzin	7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative	plant metabolite	low
amarogentin	monosaccharide derivative; secoiridoid glycoside	EC 5.99.1.2 (DNA topoisomerase) inhibitor; metabolite	low
astilbin	3'-hydroxyflavanones; 4'-hydroxyflavanones; alpha-L-rhamnoside; flavanone glycoside; monosaccharide derivative; tetrahydroxyflavanone	anti-inflammatory agent; plant metabolite; radical scavenger	low
swertisin	dihydroxyflavone; flavone C-glycoside; monomethoxyflavone; monosaccharide derivative; polyphenol	adenosine A1 receptor antagonist; anti-inflammatory agent; antioxidant; hypoglycemic agent; plant metabolite	low
1-hydroxymethylmidazolam glucuronide	beta-D-glucosiduronic acid; imidazobenzodiazepine; monofluorobenzenes; monosaccharide derivative; organochlorine compound	drug metabolite; human blood serum metabolite; human urinary metabolite	low
aclacinomycin	aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion	antimicrobial agent; antineoplastic agent; metabolite	low
salicylic acid glucoside	benzoic acids; D-glucoside; monosaccharide derivative		low
a 195773	macrolide antibiotic; monosaccharide derivative; quinolines	antibacterial drug; protein synthesis inhibitor	low
glycyrrhetyl 3-monoglucuronide	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	low
scutellarin	glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antineoplastic agent; proteasome inhibitor	low
glycitin	7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; methoxyisoflavone; monosaccharide derivative	plant metabolite	low
chloroorienticin b	cyclic ether; glycopeptide; heterodetic cyclic peptide; monosaccharide derivative; organochlorine compound; polyphenol	antimicrobial agent; bacterial metabolite	low
troleandomycin	acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative	EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic	low
cholesteryl glucoside	monosaccharide derivative; sterol 3-beta-D-glucoside		low
saponarin	C-glycosyl compound; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative	metabolite	low
helveticoside	14beta-hydroxy steroid; 5beta-hydroxy steroid; cardenolide glycoside; digitoxoside; monosaccharide derivative; steroid aldehyde; steroid lactone	antineoplastic agent; apoptosis inducer; plant metabolite	low
3-o-(alpha-l-arabinopyranosyl)hederagenin	alpha-L-arabinopyranoside; hydroxy monocarboxylic acid; monosaccharide derivative; pentacyclic triterpenoid; triterpenoid saponin	plant metabolite	low
neoastilbin	3'-hydroxyflavanones; 4'-hydroxyflavanones; alpha-L-rhamnoside; flavanone glycoside; monosaccharide derivative; tetrahydroxyflavanone		low
ononin	4'-methoxyisoflavones; 7-hydroxyisoflavones 7-O-beta-D-glucoside; monosaccharide derivative	plant metabolite	low
neocarzinostatin chromophore	cyclopentacyclononaoxirene; D-galactosaminide; dioxolane; monosaccharide derivative; naphthoate ester	antineoplastic agent	low
glucuronamide	monocarboxylic acid amide; monosaccharide derivative		low
nelarabine	beta-D-arabinoside; monosaccharide derivative; purine nucleoside	antineoplastic agent; DNA synthesis inhibitor; prodrug	low
wogonoside	beta-D-glucosiduronic acid; glycosyloxyflavone; monohydroxyflavone; monomethoxyflavone; monosaccharide derivative		low
coniferin	aromatic ether; cinnamyl alcohol beta-D-glucoside; monosaccharide derivative	plant metabolite	low
tylosin	aldehyde; disaccharide derivative; enone; leucomycin; macrolide antibiotic; monosaccharide derivative	allergen; bacterial metabolite; environmental contaminant; xenobiotic	low
quercitrin	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	low
luteolin-7-glucuronide	glycosyloxyflavone; luteolin O-glucuronoside; monosaccharide derivative; trihydroxyflavone	metabolite	low
gossypin	7-hydroxyflavonol; glycosyloxyflavone; monosaccharide derivative; pentahydroxyflavone	neuroprotective agent; plant metabolite	low
hyperoside	beta-D-galactoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	hepatoprotective agent; plant metabolite	low
myricitrin	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	low
iridin	4'-methoxyisoflavones; 7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative	plant metabolite	low
tectoridin	7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; methoxyisoflavone; monosaccharide derivative	plant metabolite	low
neomethymycin	enone; macrolide antibiotic; monosaccharide derivative	bacterial metabolite	low
methymycin	enone; macrolide antibiotic; monosaccharide derivative	bacterial metabolite	low
narbomycin	enone; macrolide antibiotic; monosaccharide derivative	bacterial metabolite	low
picromycin	enone; macrolide antibiotic; monosaccharide derivative	bacterial metabolite	low
kaempferol-3-o-galactoside	beta-D-galactoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antifungal agent; plant metabolite	low
tilmicosin	enone; macrolide antibiotic; monosaccharide derivative	antibacterial drug; calcium channel blocker; cardiotoxic agent	low
natamycin	antibiotic antifungal drug; dicarboxylic acid monoester; epoxide; macrolide antibiotic; monosaccharide derivative; polyene antibiotic	antifungal agrochemical; antimicrobial food preservative; apoptosis inducer; bacterial metabolite; ophthalmology drug	low
kaempferol 3-o-rhamnoside	glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	anti-inflammatory agent; antibacterial agent; plant metabolite	low
calycosin-7-o-beta-d-glucopyranoside	4'-methoxyisoflavones; 7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative		low
isorhamnetin-3-o-galactoside	beta-D-galactoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone	metabolite	low
tiliroside	cinnamate ester; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	plant metabolite	low
pradimicin b	aromatic ether; L-alanine derivative; monosaccharide derivative; polyketide; polyphenol; pradimicin; secondary alcohol		low
lespenefril	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	low
myricetin 3-o-glucuronide	monosaccharide derivative; myricetin O-glucuronide; pentahydroxyflavone	metabolite	low
avicularin	alpha-L-arabinofuranoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	hepatoprotective agent; plant metabolite	low
quercetin 7-rhamnoside	alpha-L-rhamnoside; flavonols; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	metabolite	low
mycaminosyltylonolide	aldehyde; enone; macrolide antibiotic; monosaccharide derivative		low
elaiophylin	lactol; macrodiolide; monosaccharide derivative	antifungal agent; autophagy inhibitor; bacterial metabolite	low
trilobatin	aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative	anti-inflammatory agent; antioxidant; plant metabolite; sweetening agent	low
rosaramicin	aldehyde; enone; epoxide; macrolide antibiotic; monosaccharide derivative	bacterial metabolite	low
kaempferol 3-O-beta-L-glucopyranoside	beta-L-glucoside; flavonols; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone	metabolite	low
6''-o-malonyldaidzin	glycosyloxyisoflavone; hydroxyisoflavone; malonate ester; monosaccharide derivative	plant metabolite	low
elloramycin	alpha-L-rhamnoside; carboxylic ester; enol ether; enone; methyl ester; monosaccharide derivative; phenols; tertiary alpha-hydroxy ketone; tetracenomycin	antimicrobial agent; bacterial metabolite	low
cerberin	acetate ester; cardenolide glycoside; monosaccharide derivative	antineoplastic agent; metabolite	low
diosgenin glucoside	hexacyclic triterpenoid; monosaccharide derivative; spiroketal; sterol 3-beta-D-glucoside	metabolite	low
methylamphotericin b	macrolide; methyl ester; monosaccharide derivative	antifungal agent; antiinfective agent; metabolite	low
oroxylin a-7-o-glucuronide	beta-D-glucosiduronic acid; glycosyloxyflavone; monohydroxyflavone; monomethoxyflavone; monosaccharide derivative	plant metabolite	low
dalbavancin	carbohydrate acid derivative; glycopeptide; monosaccharide derivative; semisynthetic derivative	antibacterial drug; antimicrobial agent	low
enfumafungin	lactol; monosaccharide derivative; triterpenoid saponin	antifungal agent	low
bacillithiol	glycoside; monosaccharide derivative; thiol	antioxidant; bacterial metabolite; cofactor	low
novobiocin	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent	low
gamithromycin	macrolide antibiotic; monosaccharide derivative	antibacterial drug; protein synthesis inhibitor	low
acetonitrile	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent	low
isobutyronitrile	aliphatic nitrile; volatile organic compound	polar aprotic solvent	low
propionitrile	aliphatic nitrile; volatile organic compound	polar aprotic solvent	low
acrylonitrile	aliphatic nitrile; volatile organic compound	antifungal agent; carcinogenic agent; fungal metabolite; mutagen; polar aprotic solvent	low
n-butyronitrile	aliphatic nitrile		low
allyl cyanide	aliphatic nitrile; olefinic compound	antifeedant; neurotoxin; plant metabolite	low
dicyanmethane	aliphatic nitrile; dinitrile		low
trichloroacetonitrile	aliphatic nitrile; organochlorine compound		low
3-cyanoalanine	alanine derivative; aliphatic nitrile; non-proteinogenic alpha-amino acid		low
pregnenolone carbonitrile	aliphatic nitrile		low
dichloroacetonitrile	aliphatic nitrile		low
dibromoacetonitrile	aliphatic nitrile		low
1,2-dibromo-2,4-dicyanobutane	aliphatic nitrile; organobromine compound	allergen; sensitiser	low
dienogest	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; aliphatic nitrile; steroid hormone	progesterone receptor agonist; progestin; synthetic oral contraceptive	low
2-amino-4-(3-cyclohexen-1-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrochromene-3-carbonitrile	aliphatic nitrile; chromenes; cyclic ketone; enamine; enone		low
borrelidin	aliphatic nitrile; diol; macrolide; monocarboxylic acid; secondary alcohol	antifungal agent; antimalarial; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite	low

Substance	Classes	Roles	Relationship Strength
alpha-hydroxyglutarate	2-hydroxydicarboxylic acid; dicarboxylic fatty acid	metabolite; mouse metabolite	low
alpha-isopropylmalate	2-hydroxy carboxylic acid; 3-hydroxy carboxylic acid; dicarboxylic acid	metabolite	low
acetoacetic acid	3-oxo fatty acid; ketone body	metabolite	low
3-hydroxybenzyl alcohol	hydroxybenzyl alcohol; phenols	metabolite	low
n-carbamoyl-beta-alanine	beta-alanine derivative	metabolite; mouse metabolite	low
ethylene glycol	ethanediol; glycol	metabolite; mouse metabolite; solvent; toxin	low
acetoin	methyl ketone; secondary alpha-hydroxy ketone	metabolite	low
ammonium hydroxide	azane; gas molecular entity; mononuclear parent hydride	EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant	low
benzyl alcohol	benzyl alcohols	antioxidant; fragrance; metabolite; solvent	low
carbon monoxide	carbon oxide; gas molecular entity; one-carbon compound	biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent	low
formic acid	monocarboxylic acid	antibacterial agent; astringent; metabolite; protic solvent; solvent	low
4-hydroxymandelic acid	2-hydroxy carboxylic acid; phenols	metabolite	low
aminoethylphosphonic acid	phosphonic acids; primary amino compound; zwitterion	human metabolite; metabolite; mouse metabolite	low
hydrogen sulfide	gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride	Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent	low
4-aminophenol	aminophenol	allergen; metabolite	low
n(1)-acetylspermidine	acetylspermidine	Escherichia coli metabolite; metabolite	low
aminocaproic acid	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite	low
dihydrouracil	pyrimidone	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite	low
dihydroxyacetone	ketotriose; primary alpha-hydroxy ketone	antifungal agent; Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite	low
dimethylamine	methylamines; secondary aliphatic amine	metabolite	low
glycolic acid	2-hydroxy monocarboxylic acid; primary alcohol	keratolytic drug; metabolite	low
hydantoin-5-propionic acid	imidazolidine-2,4-dione; monocarboxylic acid	metabolite; mouse metabolite	low
niacinamide	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	low
niacin	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	low
orotic acid	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite	low
oxaloacetic acid	C4-dicarboxylic acid; oxo dicarboxylic acid	geroprotector; metabolite	low
porphobilinogen	aralkylamino compound; dicarboxylic acid; pyrroles	Escherichia coli metabolite; metabolite; mouse metabolite	low
1-propanol	propan-1-ols; short-chain primary fatty alcohol	metabolite; protic solvent	low
trimethyloxamine	tertiary amine oxide	Escherichia coli metabolite; metabolite; osmolyte	low
6-hydroxymelatonin	acetamides; tryptamines	metabolite; mouse metabolite	low
n-acetylphenylalanine	N-acetyl-amino acid; phenylalanine derivative	antidepressant; metabolite	low
n-acetyltryptophan	N-acetyl-amino acid; tryptophan derivative	metabolite	low
arecoline	enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine	metabolite; muscarinic agonist	low
aristolochic acid i	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin	low
berberine	alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound	antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker	low
dibutyl phthalate	diester; phthalate ester	EC 3.2.1.20 (alpha-glucosidase) inhibitor; environmental contaminant; metabolite; plasticiser; teratogenic agent	low
hydroxymethyltolbutamide	benzyl alcohols; sulfonamide; ureas	metabolite	low
methyl salicylate	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite	low
myristicin	organic molecular entity	metabolite	low
phenmetrazine	morpholines	metabolite; sympathomimetic agent	low
phenylbutazone	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug	low
safrole	benzodioxoles	flavouring agent; insecticide; metabolite; plant metabolite	low
2,2'-thiodiethanol	aliphatic sulfide; diol	antineoplastic agent; antioxidant; metabolite; solvent	low
sorbitol	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent	low
alloxan	pyrimidone	hyperglycemic agent; metabolite	low
thymidine	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite	low
glutamine	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite	low
allyl isothiocyanate	alkenyl isothiocyanate; isothiocyanate	antimicrobial agent; antineoplastic agent; apoptosis inducer; lachrymator; metabolite	low
n-methyltryptamine	tryptamine alkaloid; tryptamines	metabolite	low
4-deoxypyridoxine	hydroxymethylpyridine; methylpyridines; monohydroxypyridine	metabolite	low
cycloserine	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist	low
17-alpha-hydroxyprogesterone	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin	low
mannitol	mannitol	allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent	low
phenacyl bromide	acetophenones; alpha-bromoketone	metabolite	low
trichloroacetic acid	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite	low
acrylic acid	alpha,beta-unsaturated monocarboxylic acid	metabolite	low
n-methylacetamide	acetamides; monocarboxylic acid amide	metabolite	low
bis(4-hydroxyphenyl)sulfone	bisphenol; sulfone	endocrine disruptor; metabolite	low
rotenone	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin	low
7-amino-4-hydroxy-2-naphthalenesulfonic acid	aminonaphthalenesulfonic acid; naphthols	metabolite	low
methyl benzoate	benzoate ester; methyl ester	insect attractant; metabolite	low
2-dichlorobenzene	dichlorobenzene	hepatotoxic agent; metabolite	low
2,4-diaminotoluene	aminotoluene	metabolite	low
4-butyrolactone	butan-4-olide	metabolite; neurotoxin	low
sulfosalicylic acid	arenesulfonic acid; benzoic acids; phenols	metabolite	low
ethyl lactate	ethyl ester; lactate ester; secondary alcohol	metabolite	low
furaldehyde	aldehyde; furans	Maillard reaction product; metabolite	low
thiophene-2-carboxaldehyde	aldehyde; thiophenes	metabolite	low
alpha-resorcylic acid	dihydroxybenzoic acid; resorcinols	metabolite	low
methylenebis(chloroaniline)	chloroaniline	metabolite	low
2-phenylethyl acetate	acetate ester	metabolite; Saccharomyces cerevisiae metabolite	low
dibenzyl ether	benzyl ether	metabolite	low
ethyl propionate	propanoate ester	metabolite	low
citronellal	aldehyde; monoterpenoid	antifungal agent; metabolite	low
ethyl oenanthate	fatty acid ethyl ester	metabolite	low
ethyl caprylate	fatty acid ethyl ester; octanoate ester	metabolite	low
ethyl laurate	fatty acid ethyl ester	metabolite	low
acetic anhydride	acyclic carboxylic anhydride	metabolite; reagent	low
ethyl isovalerate	fatty acid ethyl ester; olefinic compound	metabolite	low
n-butyl n-butyrate	butyrate ester	metabolite	low
ethyl decanoate	decanoate ester; fatty acid ethyl ester	metabolite	low
methyl octanoate	fatty acid methyl ester; octanoate ester	metabolite	low
2-octanone	methyl ketone	metabolite	low
hexylamine	primary aliphatic amine	metabolite	low
lauric acid methyl ester	dodecanoate ester; fatty acid methyl ester	metabolite	low
octylamine	primary aliphatic amine	metabolite	low
n-decyl alcohol	decanol; primary alcohol	metabolite; pheromone; protic solvent	low
methyl palmitate	fatty acid methyl ester	metabolite	low
maltol	4-pyranones	metabolite	low
chloranil	1,4-benzoquinones; organochlorine compound	EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite	low
dibenzoylmethane	aromatic ketone; beta-diketone	antimutagen; antineoplastic agent; metabolite	low
methyl anthranilate	benzoate ester	flavouring agent; metabolite	low
benzyl acetate	acetate ester; benzyl ester	metabolite	low
ethyl acetate	acetate ester; ethyl ester; volatile organic compound	EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite	low
dibenzyl disulfide	organic aromatic compound; organic disulfide	metabolite	low
mequinol	methoxybenzenes; phenols	metabolite	low
gamma-resorcylic acid	dihydroxybenzoic acid	metabolite	low
kynuramine	kynurenamines; primary amino compound	metabolite	low
5-methylpyrazole-3-carboxylic acid	monocarboxylic acid; pyrazoles	metabolite	low
4-trifluoromethylaniline	(trifluoromethyl)benzenes; substituted aniline	metabolite	low
methylguanidine	guanidines	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite; uremic toxin	low
liriodenine	alkaloid antibiotic; cyclic ketone; organic heteropentacyclic compound; oxacycle; oxoaporphine alkaloid	antifungal agent; antimicrobial agent; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite	low
plumbagin	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite	low
imperatorin	psoralens	EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite	low
osthol	botanical anti-fungal agent; coumarins	metabolite	low
Dillapiole	benzodioxoles	metabolite	low
coumaran	1-benzofurans	metabolite	low
1,3-propanediol	propane-1,3-diols	metabolite; protic solvent	low
tridecanedioic acid	alpha,omega-dicarboxylic acid	metabolite	low
physcione	dihydroxyanthraquinone	anti-inflammatory agent; antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; metabolite	low
apiole	benzodioxoles	metabolite	low
flavone	flavones	metabolite; nematicide	low
cetyl palmitate	hexadecanoate ester	metabolite	low
n-amyl butyrate	butyrate ester	metabolite	low
3-aminobutyric acid	amino acid zwitterion; beta-amino acid; monocarboxylic acid	metabolite	low
methyl lactate	lactate ester; methyl ester	metabolite	low
paeonol	methoxybenzenes; phenols	metabolite	low
2,2-dimethylbutyric acid	dimethylbutyric acid	metabolite	low
2-chloroacrylic acid	alpha,beta-unsaturated monocarboxylic acid; chlorocarboxylic acid	metabolite	low
galactitol	hexitol	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite	low
1-methyluracil	nucleobase analogue; pyrimidone	metabolite	low
2-pyrrolidone	pyrrolidin-2-ones	metabolite; polar solvent	low
n-ethylacetamide	acetamides	metabolite	low
6-methyluracil	pyrimidone	metabolite	low
3-methylglutaric acid	alpha,omega-dicarboxylic acid	metabolite	low
amyl acetate	acetate ester	metabolite	low
dibenzothiophene 5-oxide	dibenzothiophenes	metabolite	low
2-acetamidoethanethiol	acetamides	metabolite	low
2-hydroxyquinoxaline	hydroxyquinoxaline	metabolite	low
3,4-dihydroxyacetophenone	acetophenones; catechols; dihydroxyacetophenone	metabolite	low
methyl hippurate	glycine derivative; methyl ester	metabolite	low
isobarbaloin	anthracenes; C-glycosyl compound; cyclic ketone; phenols	laxative; metabolite	low
vincamine	alkaloid ester; hemiaminal; methyl ester; organic heteropentacyclic compound; vinca alkaloid	antihypertensive agent; metabolite; vasodilator agent	low
methyl tert-butyl ether	ether	fuel additive; metabolite; non-polar solvent	low
4-octylphenol	phenols	metabolite; surfactant; xenoestrogen	low
dronabinol	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic	low
phenethyl isothiocyanate	isothiocyanate	antineoplastic agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite	low
2-methoxy-1,4-naphthoquinone	1,4-naphthoquinones; enol ether	antimicrobial agent; metabolite; plant metabolite	low
aviprin	furanocoumarin	metabolite	low
hydroxyphenytoin	imidazolidine-2,4-dione; phenols	metabolite	low
squaric acid	alicyclic ketone; carbon oxoacid	metabolite	low
methyl methanethiosulfonate	sulfonic acid derivative; thiosulfonate ester	metabolite	low
arabinofuranosyluracil	N-glycosyl compound	metabolite	low
6-aminonicotinic acid	aminonicotinic acid; aminopyridine; aromatic amine	metabolite	low
mannose	D-aldohexose; D-mannose; mannopyranose	metabolite	low
2,3-hexanedione	alpha-diketone	metabolite	low
tabersonine	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound	antineoplastic agent; metabolite	low
3,3-dimethylglutarate	alpha,omega-dicarboxylic acid	metabolite	low
raspberry ketone	methyl ketone; phenols	androgen antagonist; cosmetic; flavouring agent; fragrance; hepatoprotective agent; metabolite	low
laurolitsine	aporphine alkaloid; aromatic ether; phenols	HIV-1 integrase inhibitor; metabolite	low
helenalin	cyclic ketone; gamma-lactone; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone	anti-inflammatory agent; antineoplastic agent; metabolite; plant metabolite	low
diethyl malate	malate ester	metabolite	low
carbendazim	benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent	low
glucoheptonate	carbohydrate acid; monocarboxylic acid	metabolite	low
deslanoside	12beta-hydroxy steroid; 14beta-hydroxy steroid; cardenolide glycoside; tetrasaccharide derivative	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite	low
streptozocin	N-acylglucosamine; N-nitrosoureas	antimicrobial agent; antineoplastic agent; DNA synthesis inhibitor; metabolite	low
pedalitin	monomethoxyflavone; tetrahydroxyflavone	EC 1.17.3.2 (xanthine oxidase) inhibitor; metabolite	low
ethyl nonanoate	fatty acid ethyl ester	metabolite	low
ethyl hexanoate	fatty acid ethyl ester; hexanoate ester	metabolite	low
butyl acetate	acetate ester	metabolite	low
1,4-dioxane	dioxane; volatile organic compound	carcinogenic agent; metabolite; NMR chemical shift reference compound; non-polar solvent	low
isoamyl acetate	acetate ester	metabolite; Saccharomyces cerevisiae metabolite	low
ribostamycin	amino cyclitol glycoside; aminoglycoside antibiotic	antibacterial drug; antimicrobial agent; metabolite	low
tramadol	2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol	adrenergic uptake inhibitor; antitussive; capsaicin receptor antagonist; delta-opioid receptor agonist; kappa-opioid receptor agonist; metabolite; mu-opioid receptor agonist; muscarinic antagonist; nicotinic antagonist; NMDA receptor antagonist; opioid analgesic; serotonergic antagonist; serotonin uptake inhibitor	low
6-pentylpyrone	2-pyranones	metabolite	low
paclitaxel	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent	low
4-methylhistamine	aralkylamino compound; imidazoles	histamine agonist; metabolite	low
perfosfamide	nitrogen mustard; organochlorine compound; peroxol; phosphorodiamide	alkylating agent; antineoplastic agent; drug allergen; immunosuppressive agent; metabolite	low
castanospermine	indolizidine alkaloid	anti-HIV-1 agent; anti-inflammatory agent; EC 3.2.1.* (glycosidase) inhibitor; metabolite	low
pravastatin	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic	low
3-methyl-2-butenal	enal	metabolite	low
ethyl 3-hydroxybutyrate	fatty acid ethyl ester	metabolite	low
4,5-dimethyl-3-hydroxy-2(5h)-furanone	butenolide	metabolite	low
n-methylnicotinamide	pyridinecarboxamide	metabolite	low
3-aminoisobutyric acid	amino acid zwitterion; beta-amino acid	metabolite	low
platanic acid	hydroxy monocarboxylic acid; methyl ketone; pentacyclic triterpenoid	anti-HIV agent; metabolite	low
2'-deoxyuridylic acid	deoxyuridine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-monophosphate	Escherichia coli metabolite; metabolite; mouse metabolite	low
gallocatechol	gallocatechin	antioxidant; metabolite; radical scavenger	low
1-methylinosine	inosines	metabolite	low
dihydrobetulinic acid	hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-HIV agent; antileishmanial agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite	low
bergenin	trihydroxybenzoic acid	metabolite	low
2-methoxyestradiol	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite	low
3'-cmp	cytidine 3'-phosphate; pyrimidine ribonucleoside 3'-monophosphate	Escherichia coli metabolite; metabolite; mouse metabolite	low
xanthoxyletin	coumarins	metabolite	low
pinocembrin	(2S)-flavan-4-one; dihydroxyflavanone	antineoplastic agent; antioxidant; metabolite; neuroprotective agent; vasodilator agent	low
orsellinic acid	dihydroxybenzoic acid; resorcinols	fungal metabolite; marine metabolite; metabolite	low
isoimperatorin	psoralens	EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite	low
rotenolone	organic molecular entity	metabolite	low
seselin	coumarins	metabolite	low
perillene	furans; monoterpenoid	fragrance; metabolite; semiochemical	low
glycine methyl ester	glycinyl ester	metabolite	low
hexadecanamide	primary fatty amide	metabolite	low
benzocyclobutene	carbobicyclic compound	metabolite	low
9-methyladenine	methyladenine	metabolite	low
n'-methyl-2-pyridone-5-carboxamide	methylpyridines; pyridinecarboxamide; pyridone	metabolite; mouse metabolite	low
1,3-dimethyluracil	pyrimidone	metabolite	low
3-methoxysalicylic acid	methoxysalicylic acid	metabolite	low
1,3-dimethyluric acid	oxopurine	metabolite	low
leucyltyrosine	dipeptide	metabolite	low
3-methylxanthine	3-methylxanthine	metabolite	low
leucyl-glycyl-glycine	tripeptide	metabolite	low
acetylleucine	L-leucine derivative; N-acetyl-L-amino acid	metabolite	low
n-benzoylalanine, (dl-ala)-isomer	alanine derivative; N-acyl-amino acid	metabolite	low
dipropylacetamide	fatty amide	geroprotector; metabolite; teratogenic agent	low
masoprocol	nordihydroguaiaretic acid	antineoplastic agent; hypoglycemic agent; lipoxygenase inhibitor; metabolite	low
7-methyladenine	methyladenine	metabolite	low
acetylisoniazid	carbohydrazide	metabolite	low
illimaquinone	monohydroxy-1,4-benzoquinones; prenylquinone	metabolite	low
coptisine	alkaloid	metabolite	low
betulin	diol; pentacyclic triterpenoid	analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite	low
narciclasine	phenanthridines	metabolite	low
lividomycin	lividomycins	metabolite	low
dmp 323	diazepanone; ureas	anti-HIV agent; metabolite	low
eupolauridine	naphthyridine derivative	metabolite	low
zaluzanin C	gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite	low
2-aminonicotinic acid	aminonicotinic acid; aminopyridine	metabolite	low
(-)-catechin	catechin	metabolite	low
dehydrocostus lactone	gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; sesquiterpene lactone	antimycobacterial drug; antineoplastic agent; apoptosis inducer; cyclooxygenase 2 inhibitor; metabolite; trypanocidal drug	low
Tormentic acid	triterpenoid	metabolite	low
pinobanksin	secondary alpha-hydroxy ketone; trihydroxyflavanone	antimutagen; antioxidant; metabolite	low
sigmoidin a	4'-hydroxyflavanones; tetrahydroxyflavanone	anti-inflammatory agent; anti-obesity agent; antibacterial agent; metabolite; radical scavenger	low
xanthosine 5'-triphosphate	purine ribonucleoside 5'-monophosphate; xanthosine 5'-phosphate	Escherichia coli metabolite; metabolite; mouse metabolite	low
monotropein	beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monocarboxylic acid; monosaccharide derivative	anti-inflammatory agent; metabolite	low
glycyl-histidyl-lysine	tripeptide	chelator; hepatoprotective agent; metabolite; vulnerary	low
homoeriodictyol	3'-methoxyflavanones; 4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone	flavouring agent; metabolite	low
arjunolic acid	hydroxy monocarboxylic acid; pentacyclic triterpenoid	antibacterial agent; antifungal agent; antioxidant; metabolite	low
oxazolidin-2-one	carbamate ester; oxazolidinone	metabolite	low
monoethyl phthalate	ethyl ester; phthalic acid monoester	metabolite	low
methylimidazoleacetic acid	imidazoles; monocarboxylic acid	GABA agonist; metabolite	low
2-(2-aminoethyl)pyridine	aminoalkylpyridine; primary amine	histamine agonist; metabolite	low
xanthurenic acid 8-methyl ether	aromatic ether; monohydroxyquinoline; quinolinemonocarboxylic acid	carcinogenic agent; metabolite; mouse metabolite	low
methyl orsellinate	hydroxybenzoic acid	metabolite	low
2,2-di(4-methacryloxyphenyl)propane	bisphenol; enoate ester	metabolite	low
sofosbuvir	aminopyrimidine; aromatic carboxylic acid; nucleobase analogue; pyrimidone	metabolite	low
3-methyluracil	nucleobase analogue; pyrimidone	metabolite	low
1-methylcytosine	aminopyrimidine; methylcytosine; pyrimidone	metabolite	low
leucyl-alanine	dipeptide	metabolite	low
leucyl-leucyl-leucine	tripeptide	metabolite	low
3,4-dihydroxyphenylethanol	catechols; primary alcohol	antineoplastic agent; antioxidant; metabolite	low
3,7-dimethyluric acid	oxopurine	metabolite; mouse metabolite	low
alanylproline	dipeptide zwitterion; dipeptide	metabolite	low
d-biotin-d-sulfoxide	biotins; sulfoxide	metabolite	low
biotin sulfone	biotins; sulfone	metabolite	low
asperuloside	acetate ester; beta-D-glucoside; gamma-lactone; iridoid monoterpenoid; monosaccharide derivative	metabolite	low
primin	1,4-benzoquinones	allergen; antifeedant; antimicrobial agent; hapten; metabolite	low
2-(hydroxymethyl)anthraquinone	anthraquinone	metabolite	low
tyrosylleucine	dipeptide	metabolite	low
o-methylserine	L-serine derivative; non-proteinogenic L-alpha-amino acid	metabolite	low
cinchonine	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite	low
aucubin	organic molecular entity	metabolite	low
catalpol	organic molecular entity	metabolite	low
3,4-dihydroxyphenylglycol	catechols; tetrol	metabolite; mouse metabolite	low
2-methylhistamine	aralkylamino compound; imidazoles	histamine agonist; metabolite	low
2-methylhippuric acid	N-acylglycine	metabolite	low
taraxerol	pentacyclic triterpenoid; secondary alcohol	metabolite	low
alpha-peltatin	furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols	antineoplastic agent; metabolite	low
3-acetyllupeol	organic molecular entity	metabolite	low
lupenone	triterpenoid	metabolite	low
glycyltryptophan	dipeptide	metabolite	low
monocerin	hydroxybenzoic acid	metabolite	low
propionyl-coenzyme a	acyl-CoA	Escherichia coli metabolite; metabolite; mouse metabolite	low
alpha-hydroxyisocaproic acid	2-hydroxy fatty acid; branched-chain fatty acid	metabolite	low
totarol	diterpenoid	metabolite	low
taraxerone	scalarane sesterterpenoid	metabolite	low
prunin protein, prunus	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; flavanone 7-O-beta-D-glucoside; monosaccharide derivative	antibacterial agent; antilipemic drug; hypoglycemic agent; metabolite	low
uvaol	triterpenoid	metabolite	low
glycyltyrosine	dipeptide	metabolite	low
glycylleucine	dipeptide zwitterion; dipeptide	metabolite	low
alanyltyrosine	dipeptide	metabolite	low
glycyl-l-phenylalanine	dipeptide zwitterion; dipeptide	human metabolite; metabolite	low
digoxigenin-mono(digitoxoside)	cardenolide glycoside; digitoxoside; monosaccharide derivative; steroid saponin	metabolite	low
thiazolidine-4-carboxylic acid, (r)-isomer	thiazolidinemonocarboxylic acid; thioproline	geroprotector; metabolite	low
5,6-dihydrothymine	pyrimidone	human metabolite; metabolite; mouse metabolite	low
dehydroabietic acid	abietane diterpenoid; carbotricyclic compound; monocarboxylic acid	allergen; metabolite	low
palmitone	dialkyl ketone	anticonvulsant; metabolite	low
1-methylthymine	methylthymine	metabolite	low
imidazoleacetic acid	imidazoles; monocarboxylic acid	metabolite; mouse metabolite	low
1-methylguanosine	methylguanosine	metabolite	low
alanylphenylalanine	dipeptide	metabolite	low
murrayanine	carbazoles	metabolite	low
girinimbine	carbazoles	metabolite	low
tryptophylglycine	dipeptide	metabolite	low
canthin-6-one	enone; indole alkaloid; organic heterotetracyclic compound	antimycobacterial drug; metabolite	low
glycylaspartic acid	dipeptide	metabolite	low
4-methylhippuric acid	N-acylglycine	metabolite	low
delta(9)-tetrahydrocannabinolic acid	benzochromene; diterpenoid; hydroxy monocarboxylic acid; phytocannabinoid; polyketide	anti-inflammatory agent; biomarker; metabolite; neuroprotective agent	low
3-methylhippuric acid	N-acylglycine	metabolite	low
n-glycylglutamic acid	dipeptide	metabolite	low
n-caproylglycine	N-acylglycine	metabolite	low
diosgenin	3beta-sterol; hexacyclic triterpenoid; sapogenin; spiroketal	antineoplastic agent; antiviral agent; apoptosis inducer; metabolite	low
s-2-aminoethyl cysteine	L-cysteine thioether; non-proteinogenic L-alpha-amino acid	EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor; metabolite; protein synthesis inhibitor	low
4-hydroxycyclophosphamide	nitrogen mustard; organochlorine compound; phosphorodiamide	alkylating agent; metabolite	low
alpha-glutamyltryptophan	dipeptide	angiogenesis modulating agent; antineoplastic agent; immunomodulator; metabolite	low
malabaricone c	butanone	metabolite	low
loliolide	benzofurans	metabolite	low
tuberostemonine	alkaloid	metabolite	low
pyrrole-3-carboxylic acid	pyrrolecarboxylic acid	metabolite; Penicillium metabolite	low
histidylglycine	dipeptide	metabolite	low
histidinoalanine	dipeptide zwitterion; dipeptide	metabolite	low
cinchonidine	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite	low
quillaic acid	aldehyde; hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory agent; metabolite	low
p-methoxy-n-methylphenethylamine	aromatic ether; secondary amino compound	metabolite	low
ecgonine methyl ester	methyl ester; tertiary amino compound; tropane alkaloid	analgesic; central nervous system depressant; metabolite; mouse metabolite; opioid analgesic; peripheral nervous system drug	low
n-acetylcytidine	acetamides; cytidines; secondary carboxamide	metabolite	low
4-hydroxydebrisoquin	carboxamidine; isoquinolines; secondary alcohol	metabolite	low
hypotaurine	aminosulfinic acid; zwitterion	human metabolite; metabolite; mouse metabolite	low
hc toxin	homodetic cyclic peptide; tetrapeptide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; metabolite; phytotoxin	low
epicatechin gallate	catechin; gallate ester; polyphenol	EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite	low
versiconal hemiacetal acetate	acetate ester; anthrafuran; lactol; palmitoyl amino acid; polyphenol	metabolite	low
selenodiglutathione	glutathione derivative; thioselenide	Escherichia coli metabolite; metabolite	low
coprine	cyclopropanes; dicarboxylic acid monoamide; L-glutamine derivative; non-proteinogenic L-alpha-amino acid	EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite; mycotoxin	low
aristolochic acid ii	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin	low
exp3174	biphenylyltetrazole; imidazoles; organochlorine compound	metabolite	low
ribonolactone	butan-4-olide; ribonolactone	metabolite	low
sulfamethoxazole hydroxylamine	isoxazoles; sulfonamide	allergen; metabolite	low
androsterone glucuronide	beta-D-glucosiduronic acid; steroid glucosiduronic acid	human metabolite; metabolite; mouse metabolite	low
tephrosin	aromatic ether; cyclic ketone; organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; pesticide	low
sapintoxin d	phorbol ester; tertiary alpha-hydroxy ketone	fluorescent probe; metabolite	low
amarogentin	monosaccharide derivative; secoiridoid glycoside	EC 5.99.1.2 (DNA topoisomerase) inhibitor; metabolite	low
taraxasterol	pentacyclic triterpenoid; secondary alcohol	anti-inflammatory agent; metabolite	low
asiatic acid	monocarboxylic acid; pentacyclic triterpenoid; triol	angiogenesis modulating agent; metabolite	low
flavoglaucin	hydroquinones	metabolite	low
1-(6-hydroxy-2-isopropenyl-1-benzofuran-5-yl)-1-ethanone	benzofurans	metabolite	low
dioscin	hexacyclic triterpenoid; spiroketal; spirostanyl glycoside; trisaccharide derivative	anti-inflammatory agent; antifungal agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 1.14.18.1 (tyrosinase) inhibitor; hepatoprotective agent; metabolite	low
maculosin	dipeptide; homodetic cyclic peptide; phenols; pyrrolopyrazine	metabolite	low
n(4)-methylcytosine	aminopyrimidine; methylcytosine; pyrimidone	metabolite	low
n-acetylputrescine	N-monoacetylalkane-alpha,omega-diamine; N-substituted putrescine	metabolite; mouse metabolite	low
4'-demethylpodophyllotoxin	furonaphthodioxole; organic heterotetracyclic compound; phenols	metabolite	low
lysicamine	alkaloid antibiotic; oxoaporphine alkaloid	metabolite	low
celastrol	monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite	low
procyanidin b2	biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin	antioxidant; metabolite	low
aromadedrin	4'-hydroxyflavanones; dihydroflavonols; secondary alpha-hydroxy ketone; tetrahydroxyflavanone	metabolite	low
3-methylthymine	methylthymine; pyrimidone	metabolite	low
tyrosyl-glycyl-glycine	tripeptide zwitterion; tripeptide	metabolite	low
cyclic adp-ribose	cyclic purine nucleotide; nucleotide-sugar	metabolite; ryanodine receptor agonist	low
glycylglutamine	dipeptide zwitterion; dipeptide	metabolite; protective agent	low
alanylglutamine	dipeptide zwitterion; dipeptide	metabolite	low
naadp	nicotinic acid dinucleotide	calcium channel agonist; metabolite; signalling molecule	low
procyanidin b5	biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin	metabolite	low
proanthocyanidin a2	hydroxyflavan; proanthocyanidin	angiogenesis modulating agent; anti-HIV agent; antioxidant; metabolite	low
dihydrosanguinarine	benzophenanthridine alkaloid	antifungal agent; metabolite	low
tetrahydrocurcumin	beta-diketone; diarylheptanoid; polyphenol	metabolite	low
eriodictyol 7-glucuronide	3'-hydroxyflavonoid; beta-D-glucosiduronic acid	EC 1.1.1.21 (aldehyde reductase) inhibitor; metabolite	low
beta-lipotropin, gln(9)-	catechols; crown compound; macrocyclic lactone	bacterial metabolite; metabolite	low
4-nitrososulfamethoxazole	isoxazoles; nitroso compound; sulfonamide	allergen; metabolite	low
protosappanin a	catechols	metabolite	low
3,3'-neotrehalosadiamine	amino disaccharide; glycosyl glycoside derivative	antimicrobial agent; metabolite	low
salvinorin a	organic heterotricyclic compound; organooxygen compound	metabolite; oneirogen	low
cyanidin	5-hydroxyanthocyanidin	antioxidant; metabolite; neuroprotective agent	low
yakuchinone-a	ketone; monomethoxybenzene; phenols	antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite	low
marsupsin	1-benzofurans; aromatic ether; polyphenol	antilipemic drug; hypoglycemic agent; metabolite	low
6,6'-bieckol	aromatic ether; oxacycle; phlorotannin	anti-HIV-1 agent; metabolite; radical scavenger	low
3-methylcytosine	aminopyrimidine; methylcytosine; pyrimidone	metabolite	low
eckol	phlorotannin	antioxidant; metabolite	low
procyanidin b3	biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin	anti-inflammatory agent; antioxidant; EC 2.3.1.48 (histone acetyltransferase) inhibitor; metabolite	low
aclacinomycin	aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion	antimicrobial agent; antineoplastic agent; metabolite	low
phenylalanylarginine	dipeptide	metabolite	low
prolylarginine	dipeptide	metabolite	low
5-methoxytryptophan	L-alpha-amino acid zwitterion; L-tryptophan derivative	metabolite	low
phenylalanylglutamate	dipeptide	metabolite	low
aspartylglycine	dipeptide	metabolite	low
aspartylglutamate	dipeptide	metabolite	low
5-hydroxypipecolic acid	piperidinemonocarboxylic acid	metabolite	low
prolyl-tyrosine	dipeptide	metabolite	low
histidylproline	dipeptide zwitterion; dipeptide	metabolite	low
phenylalanyl-glycyl-glycine	tripeptide	metabolite	low
leucylarginine	dipeptide	metabolite	low
pendolmycin	indoles	metabolite	low
atractylenolide iii	naphthofuran	metabolite	low
malvidin	5-hydroxyanthocyanidin	biological pigment; metabolite	low
5-hydroxytryptoline	beta-carbolines	metabolite	low
perlolyrine	organic molecular entity	metabolite	low
endocrocin	monocarboxylic acid; phenols; trihydroxyanthraquinone	metabolite	low
sulochrin	benzophenones; carboxylic ester; phenols	metabolite	low
i-677	L-serine derivative; non-proteinogenic L-alpha-amino acid	antimetabolite; antimicrobial agent; antineoplastic agent; metabolite	low
isohomovanillic acid	aromatic ether; phenols; phenylacetic acids	metabolite	low
4-amino-2-methoxypyrimidine	aminopyrimidine; aromatic ether; methylcytosine	metabolite	low
asimilobine	aporphine alkaloid	metabolite	low
aristolochic acid D	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; nephrotoxin; toxin	low
leukodopachrome	hydroxy monocarboxylic acid; indoles	metabolite	low
ampelopsin	dihydromyricetin; secondary alpha-hydroxy ketone	antineoplastic agent; antioxidant; metabolite	low
pinusolide	diterpene lactone	metabolite	low
2,4,5-trihydroxypentanoic acid gamma-lactone	ribonolactone	metabolite	low
hydroxysitosterol	3beta-hydroxy-Delta(5)-steroid; 7alpha-hydroxy steroid	metabolite; plant metabolite	low
jolkinolide a	diterpene lactone	metabolite	low
jolkinolide b	diterpene lactone	metabolite	low
1-o-hexadecyl-2-lyso-glycero-3-phosphorylcholine	1-alkyl-sn-glycero-3-phosphocholine; lysophosphatidylcholine O-16:0	metabolite	low
isovitexin	C-glycosyl compound; trihydroxyflavone	EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite	low
dopamine quinone	1,2-benzoquinones; primary amino compound	metabolite	low
platycodin d	triterpenoid saponin	metabolite	low
frenolicin b	benzoisochromanequinone; p-quinones	metabolite	low
4-oxopentanal	ketoaldehyde	metabolite	low
my 12-62c	monohydroxyquinoline; quinolone	antibacterial agent; iron chelator; metabolite; signalling molecule	low
3,4-dihydroxyphenylpyruvic acid	2-oxo monocarboxylic acid	metabolite	low
proximadiol	eudesmane sesquiterpenoid	metabolite	low
aristolochic acid c	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin	low
phenylacetyl-coenzyme a	acyl-CoA	Escherichia coli metabolite; metabolite; mouse metabolite	low
taxusin	acetate ester; carbotricyclic compound; taxane diterpenoid	metabolite	low
confertin	cyclic ketone; gamma-lactone; organic heterotricyclic compound; pseudoguaianolide	anti-inflammatory agent; metabolite; plant metabolite	low
beta-methylcrotonylglycine	N-acylglycine	metabolite	low
tracheloside	glycoside; lignan	metabolite	low
maytenonic acid	triterpenoid	metabolite	low
procyanidin C1	hydroxyflavan; polyphenol; proanthocyanidin	anti-inflammatory agent; antioxidant; EC 1.17.3.2 (xanthine oxidase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; lipoxygenase inhibitor; metabolite	low
3-methyleneindolenine	indoles	metabolite	low
isopulegol	p-menthane monoterpenoid	metabolite	low
kadsurin	tannin	metabolite	low
lysylproline	dipeptide	metabolite	low
5-o-methylembelin	enol ether; monohydroxy-1,4-benzoquinones	antileishmanial agent; antineoplastic agent; hepatitis C protease inhibitor; metabolite	low
dihydrodaidzein	hydroxyisoflavanone	metabolite	low
4'-o-methylepigallocatechin	catechin	metabolite	low
corynoline	benzophenanthridine alkaloid; cyclic acetal; isoquinolines; organic heterohexacyclic compound; secondary alcohol	antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hepatoprotective agent; metabolite	low
limonin	epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound	inhibitor; metabolite; volatile oil component	low
dichamanetin	diarylheptanoid	metabolite	low
brevianamide f	dipeptide; indoles; pyrrolopyrazine	metabolite	low
ergolide	acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	anti-inflammatory agent; antineoplastic agent; metabolite; NF-kappaB inhibitor; plant metabolite	low
4-sulfocatechol	dihydroxybenzenesulfonic acid	metabolite	low
histidylleucine	dipeptide zwitterion; dipeptide	metabolite	low
7-methoxyheptaphylline	carbazoles	metabolite	low
phenylalanylserine	dipeptide	metabolite	low
phellamurin	4'-hydroxyflavanones; beta-D-glucoside; dihydroflavonols; flavanone glycoside; monosaccharide derivative; trihydroxyflavanone	metabolite	low
prolylglutamic acid	dipeptide	metabolite	low
nantenine	oxoaporphine alkaloid	metabolite	low
hydrastine	isoquinolines	metabolite	low
butyrylcarnitine	O-butanoylcarnitine; saturated fatty acyl-L-carnitine	metabolite	low
2-hydroxyestradiol	17beta-hydroxy steroid; 2-hydroxy steroid	carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug	low
aromaticin	cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	anti-inflammatory agent; metabolite; plant metabolite	low
acivicin	isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound	antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite	low
n-methylcorydaldine	quinolone	metabolite	low
2-amino-3,3-dimethylbutanoic acid	non-proteinogenic alpha-amino acid	metabolite	low
pentabromopseudilin	pyrroles	metabolite	low
rocaglamide	monocarboxylic acid amide; monomethoxybenzene; organic heterotricyclic compound	antileishmanial agent; antineoplastic agent; metabolite	low
dentatin	coumarins	metabolite	low
acronine	acridone derivatives; alkaloid	antineoplastic agent; metabolite	low
enmein	delta-lactone	metabolite	low
5-aminonicotinic acid	aminonicotinic acid; aminopyridine; aromatic amine	metabolite	low
pomolic acid	triterpenoid	metabolite	low
aglafoline	methyl ester; organic heterotricyclic compound	metabolite; platelet aggregation inhibitor	low
isomaltose	glycosylglucose	human metabolite; metabolite; mouse metabolite	low
deoxyglucose	2-deoxy-D-glucose	metabolite	low
vestitone	(3R)-2'-hydroxyisoflavanones; hydroxyisoflavanone; methoxyisoflavanone	antibacterial agent; metabolite	low
pantetheine	pantetheines; thiol	human metabolite; metabolite; mouse metabolite	low
salicin	aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug	low
taxifolin	taxifolin	metabolite	low
n-formylmethionine	L-methionine derivative; N-formyl amino acid; proteinogenic amino acid	metabolite	low
fucose	deoxygalactose	metabolite	low
saponarin	C-glycosyl compound; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative	metabolite	low
hippeastrine	delta-lactone; indole alkaloid; organic heteropentacyclic compound; secondary alcohol	antineoplastic agent; metabolite	low
cyanidin 3-o-beta-d-glucopyranoside	anthocyanin cation; beta-D-glucoside; monosaccharide derivative	metabolite	low
silychristin	1-benzofurans; aromatic ether; flavonolignan; polyphenol; secondary alpha-hydroxy ketone	lipoxygenase inhibitor; metabolite; prostaglandin antagonist; radical scavenger	low
peonidin	5-hydroxyanthocyanidin	antineoplastic agent; antioxidant; apoptosis inducer; metabolite	low
convallatoxin	14beta-hydroxy steroid; 19-oxo steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; steroid aldehyde; steroid lactone	metabolite; vasodilator agent	low
furostanol i	beta-D-glucoside; cyclic hemiketal; pentacyclic triterpenoid; steroid saponin; trisaccharide derivative	metabolite	low
decursinol	cyclic ether; delta-lactone; organic heterotricyclic compound; secondary alcohol	analgesic; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite	low
abyssinone v	4'-hydroxyflavanones; phenols; trihydroxyflavanone	metabolite	low
davidigenin	dihydrochalcones; polyphenol	anti-allergic agent; anti-asthmatic agent; antioxidant; metabolite	low
farrerol	organic molecular entity	metabolite	low
naringin	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside	anti-inflammatory agent; antineoplastic agent; metabolite	low
isonaringin	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; rutinoside	anti-inflammatory agent; antioxidant; metabolite	low
cleomiscosin a	aromatic ether; delta-lactone; organic heterotricyclic compound; phenols; primary alcohol	anti-inflammatory agent; metabolite	low
vicenin ii	C-glycosyl compound; trihydroxyflavone	metabolite	low
eugeniin	beta-D-glucoside; ellagitannin; gallate ester; lactone	anti-HSV-1 agent; antifungal agent; antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite	low
knipholone	aromatic ketone; dihydroxyanthraquinone; methoxybenzenes; methyl ketone; polyphenol; resorcinols	antineoplastic agent; antioxidant; antiplasmodial drug; leukotriene antagonist; metabolite	low
alpha bitter acid	aromatic ketone; cyclic ketone; diketone; tertiary alpha-hydroxy ketone; triol	antibacterial drug; antioxidant; cyclooxygenase 2 inhibitor; metabolite	low
acanthoside b	beta-D-glucoside	metabolite	low
chlorpromazine n-oxide	organochlorine compound; phenothiazines; tertiary amine oxide	metabolite	low
3-hydroxyaspartic acid, (threo-l)-isomer	3-hydroxy-L-aspartic acid	metabolite	low
cyclo(l-phe-l-pro)	organic molecular entity	metabolite	low
pyochelin	monocarboxylic acid; phenols; thiazolidines	metabolite; siderophore	low
surfactin c	cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone	antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; platelet aggregation inhibitor; surfactant	low
petunidin-3-glucoside	anthocyanin cation; aromatic ether; beta-D-glucoside	antioxidant; metabolite	low
malvidin-3-glucoside	anthocyanin cation; aromatic ether; beta-D-glucoside	metabolite	low
dioncophylline a	biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthalenes	antifungal agent; antimalarial; metabolite; molluscicide	low
dioncophylline c	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthols	antimalarial; antiplasmodial drug; metabolite	low
latrunculin a	cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone	actin polymerisation inhibitor; metabolite; toxin	low
aglucovancomycin b	cyclic ether; heterodetic cyclic peptide; peptide antibiotic; peptide zwitterion; polyphenol	metabolite	low
(S)-ATPA	isoxazoles; non-proteinogenic L-alpha-amino acid	metabolite	low
epothilone a	epothilone; epoxide	antineoplastic agent; metabolite; microtubule-stabilising agent; tubulin modulator	low
alitretinoin	retinoic acid	antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist	low
isoleucylvaline	dipeptide	metabolite	low
afimoxifene	phenols; tertiary amino compound	antineoplastic agent; estrogen receptor antagonist; metabolite	low
3-hydroxyhippuric acid	N-acylglycine; phenols	metabolite	low
12-deoxyphorbol 13-acetate	phorbol ester	metabolite	low
conidendrin	lignan	metabolite	low
bevirimat	dicarboxylic acid monoester; monocarboxylic acid; pentacyclic triterpenoid	HIV-1 maturation inhibitor; metabolite	low
azaserine	carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid	antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite	low
16beta,17-dihydroxy-ent-kaurane-19-oic acid	bridged compound; diol; ent-kaurane diterpenoid; hydroxy monocarboxylic acid; primary alcohol; tertiary alcohol	anti-HIV agent; metabolite	low
glycyrin	aromatic ether; coumarins; hydroxyisoflavans	antibacterial agent; metabolite; plant metabolite	low
reynosin	organic heterotricyclic compound; sesquiterpene lactone	metabolite	low
moronic acid	pentacyclic triterpenoid	anti-HIV agent; anti-HSV-1 agent; metabolite	low
maltitol	alpha-D-glucoside; glycosyl alditol	laxative; metabolite; sweetening agent	low
Phe-Tyr	dipeptide	metabolite	low
2-acetyl-1-pyrroline	acylimine; methyl ketone; pyrroline	flavouring agent; Maillard reaction product; metabolite	low
methyl indole-3-carboxylate	indoles; methyl ester	metabolite	low
camalexin	1,3-thiazoles; indole phytoalexin	metabolite	low
komaroviquinone	bridged compound; lactol; p-quinones; tetracyclic diterpenoid	metabolite; trypanocidal drug	low
2-hydroxycinnamic acid	2-coumaric acid; phenols	antioxidant; metabolite	low
16-epivincamine	alkaloid	metabolite	low
diethyl fumarate	diester	metabolite	low
isoliquiritigenin	chalcones	antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist	low
1-acetyl-beta-carboline	harmala alkaloid	metabolite	low
propolin c	4'-hydroxyflavanones; tetrahydroxyflavanone	metabolite; radical scavenger	low
xanthohumol	aromatic ether; chalcones; polyphenol	anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite	low
butylidenephthalide	2-benzofurans; gamma-lactone	EC 3.2.1.20 (alpha-glucosidase) inhibitor; hypoglycemic agent; metabolite	low
malonyl coenzyme a	malonyl-CoAs	EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor; Escherichia coli metabolite; metabolite; mouse metabolite	low
imidazol-1-ylacetic acid	imidazolyl carboxylic acid	metabolite	low
captax	aryl thiol; benzothiazoles	carcinogenic agent; metabolite	low
n-acetyltryptophan	L-tryptophan derivative; N-acetyl-L-amino acid	metabolite	low
cinnamoylglycine	N-acylglycine	metabolite	low
n-benzoylalanine	N-acyl-L-alanine; N-benzoylalanine	metabolite	low
isoferulic acid	ferulic acids	antioxidant; biomarker; metabolite	low
oxypeucadanin, (r)-(+)-isomer	furanocoumarin	metabolite	low
curcumin	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger	low
thiouracil	nucleobase analogue; thiocarbonyl compound	antithyroid drug; metabolite	low
allylthiourea	thioureas	metabolite	low
n-glycylalanine	dipeptide	metabolite	low
caryophyllene oxide	epoxide	metabolite	low
fumonisin b1	diester; fumonisin; primary amino compound; triol	carcinogenic agent; metabolite	low
olivetolic acid	benzoic acids; monocarboxylic acid; polyketide; resorcinols	metabolite	low
hirsutine, (16e,20beta)-isomer	alkaloid	metabolite	low
Ganodermanontriol	triterpenoid	metabolite	low
dieckol	aromatic ether; oxacycle; phlorotannin	anticoagulant; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; metabolite; radical scavenger	low
glycylproline	dipeptide zwitterion; dipeptide	metabolite	low
tamoxifen n-oxide	aromatic ether; tertiary amine oxide	anti-estrogen; metabolite	low
7-deacetylgedunin	cyclic terpene ketone; delta-lactone; enone; epoxide; furans; limonoid; pentacyclic triterpenoid	anti-inflammatory agent; antimalarial; metabolite; plant metabolite	low
galactose-6-phosphate	D-galactose 6-phosphate	metabolite	low
nicotine n-glucuronide	iminium betaine; N-glycosylpyridine	metabolite	low
isorhyncophylline	indolizines	metabolite	low
cysteinylproline	dipeptide	metabolite	low
glycyllysine	dipeptide	metabolite	low
methionyltryptophan	dipeptide	metabolite	low
ascorbigen	indolyl carbohydrate	metabolite	low
pimeloyl-coenzyme a	omega-carboxyacyl-CoA	metabolite	low
1-salicylate glucuronide	benzoic acids; beta-D-glucosiduronic acid	metabolite	low
isoschaftoside	C-glycosyl compound; trihydroxyflavone	metabolite	low
croomine	alkaloid	metabolite	low
3-hydroxyflavanone	3'-hydroxyflavanones; monohydroxyflavanone	metabolite	low
ungeremine	organic molecular entity	metabolite	low
seryl-proline	dipeptide	metabolite	low
4-hydroxy-5-methyl-3(2h)-furanone	cyclic ketone; enol; furans	metabolite	low
annomontine	alkaloid; aminopyrimidine; beta-carbolines	antiparasitic agent; metabolite	low
8-hydroxymanzamine a	alkaloid; beta-carbolines; isoquinolines	anti-HSV-2 agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; metabolite	low
ginkgetin	biflavonoid; hydroxyflavone; methoxyflavone; ring assembly	anti-HSV-1 agent; antineoplastic agent; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite	low
calceolarioside b	hydroxycinnamic acid	metabolite	low
eupatilin	dihydroxyflavone; trimethoxyflavone	anti-inflammatory agent; anti-ulcer drug; antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite	low
quercetin 3-o-glucuronide	beta-D-glucosiduronic acid; quercetin O-glycoside	antidepressant; antioxidant; metabolite	low
australifungin	carbobicyclic compound; enol; enone; secondary alcohol	antifungal agent; EC 2.3.1.24 (sphingosine N-acyltransferase) inhibitor; HIV-1 integrase inhibitor; metabolite	low
catechin gallate	flavans; gallate ester; polyphenol	metabolite	low
sterigmatocystin	sterigmatocystins	metabolite	low
3,7-dimethoxy-5,3',4'-trihydroxyflavone	dimethoxyflavone; trihydroxyflavone	EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite	low
apigenin	trihydroxyflavone	antineoplastic agent; metabolite	low
7,3'-dihydroxy-4'-methoxyisoflavone	4'-methoxyisoflavones; 7-hydroxyisoflavones	antioxidant; metabolite	low
calcitriol	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical	low
vomifoliol	(6S)-vomifoliol	metabolite; phytotoxin	low
feruloyltyramine	tyramines	metabolite	low
luteolin-7-glucuronide	glycosyloxyflavone; luteolin O-glucuronoside; monosaccharide derivative; trihydroxyflavone	metabolite	low
chrysoeriol	monomethoxyflavone; trihydroxyflavone	antineoplastic agent; antioxidant; metabolite	low
quercetin 3-o-methyl ether	monomethoxyflavone; tetrahydroxyflavone	antimicrobial agent; metabolite	low
dexmedetomidine	trihydroxyflavone; trimethoxyflavone	antineoplastic agent; metabolite	low
apigetrin	beta-D-glucoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative	antibacterial agent; metabolite; non-steroidal anti-inflammatory drug	low
rutin	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite	low
6-ketoprostaglandin e1	prostaglandins E	metabolite; platelet aggregation inhibitor	low
lipoxin a4	hydroxy polyunsaturated fatty acid; lipoxin; long-chain fatty acid	human metabolite; metabolite	low
harmine	harmala alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite	low
naringenin chalcone	chalcones; polyphenol	anti-allergic agent; anti-inflammatory agent; metabolite	low
cornexistin	cyclic dicarboxylic anhydride; organic heterobicyclic compound; secondary alpha-hydroxy ketone	herbicide; metabolite	low
isobavachalcone	chalcones; polyphenol	antibacterial agent; metabolite; platelet aggregation inhibitor	low
daphnoretin	aromatic ether; hydroxycoumarin	antineoplastic agent; antiviral agent; metabolite	low
Rhynchophylline	indolizines	metabolite	low
esculin	beta-D-glucoside; hydroxycoumarin	antioxidant; metabolite	low
mammeisin	neoflavonoid	metabolite	low
ostruthin	terpene lactone	metabolite	low
costunolide	germacranolide; heterobicyclic compound	anthelminthic drug; antiinfective agent; antineoplastic agent; antiparasitic agent; antiviral drug; metabolite	low
caryophyllene	beta-caryophyllene	fragrance; insect attractant; metabolite; non-steroidal anti-inflammatory drug	low
phaseic acid	alpha,beta-unsaturated monocarboxylic acid; apo carotenoid sesquiterpenoid	metabolite	low
agathisflavone	biaryl; biflavonoid; hydroxyflavone	antineoplastic agent; antiviral agent; hepatoprotective agent; metabolite	low
cupressuflavone	biflavonoid; hydroxyflavone; ring assembly	EC 3.4.21.37 (leukocyte elastase) inhibitor; metabolite; radical scavenger	low
fisetin	3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone	anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite	low
genkwanin	dihydroxyflavone; monomethoxyflavone	metabolite	low
bellidifolin	polyphenol; xanthones	EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; metabolite	low
demethylbellidifolin	tetrol; xanthones	antioxidant; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; mutagen; radical scavenger	low
hinokiflavone	aromatic ether; biflavonoid; hydroxyflavone	antineoplastic agent; metabolite; neuroprotective agent	low
euxanthone	phenols; xanthones	metabolite; plant metabolite	low
3-methylquercetin	7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone	anticoagulant; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite	low
norswertianolin	beta-D-glucoside; xanthones	EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite	low
swerchirin	aromatic ether; phenols; xanthones	hypoglycemic agent; metabolite	low
isoscutellarein	tetrahydroxyflavone	metabolite	low
kaempferide	7-hydroxyflavonol; monomethoxyflavone; trihydroxyflavone	antihypertensive agent; metabolite	low
morin	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent	low
norwogonin	trihydroxyflavone	antioxidant; metabolite	low
orientin	3'-hydroxyflavonoid; C-glycosyl compound; tetrahydroxyflavone	antioxidant; metabolite	low
patuletin	flavonols; monomethoxyflavone; pentahydroxyflavone	analgesic; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; metabolite	low
rhamnetin	monomethoxyflavone; tetrahydroxyflavone	anti-inflammatory agent; antioxidant; metabolite	low
robustaflavone	biflavonoid; hydroxyflavone; ring assembly	anti-HBV agent; antineoplastic agent; antioxidant; metabolite	low
scutellarein	tetrahydroxyflavone	metabolite	low
tamarixetin	7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone	antioxidant; metabolite	low
tricetin	pentahydroxyflavone	antineoplastic agent; metabolite	low
tricin	3'-methoxyflavones; dimethoxyflavone; trihydroxyflavone	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite	low
astringin	beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid	antineoplastic agent; antioxidant; metabolite	low
polydatin	beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid	anti-arrhythmia drug; antioxidant; geroprotector; hepatoprotective agent; metabolite; nephroprotective agent; potassium channel modulator	low
epsilon-viniferin	1-benzofurans; polyphenol; stilbenoid	metabolite	low
irilone	hydroxyisoflavone; organic heterotricyclic compound; oxacycle	antineoplastic agent; immunomodulator; metabolite	low
caffeic acid phenethyl ester	alkyl caffeate ester	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent	low
licoisoflavone a	7-hydroxyisoflavones	metabolite	low
prunetin	7-methoxyisoflavones; hydroxyisoflavone	anti-inflammatory agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite	low
wedelolactone	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; apoptosis inducer; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; hepatoprotective agent; metabolite	low
rottlerin	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite	low
syringetin	3',5'-dimethoxyflavone; 3'-methoxyflavones; 7-hydroxyflavonol; dimethoxyflavone; tetrahydroxyflavone	metabolite; platelet aggregation inhibitor	low
10-deoxymethynolide	macrolide	metabolite	low
4',7-dihydroxyflavone	dihydroxyflavone	metabolite	low
rhoifolin	dihydroxyflavone; glycosyloxyflavone; neohesperidoside	metabolite	low
veronicastroside	disaccharide derivative; glycosyloxyflavone; neohesperidoside; trihydroxyflavone	antibacterial agent; metabolite	low
quercimeritrin	beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antioxidant; metabolite	low
josamycin	acetate ester; aldehyde; disaccharide derivative; glycoside; macrolide antibiotic; tertiary alcohol; tertiary amino compound	antibacterial drug; metabolite	low
n,n-dimethylsphingenine	aminodiol; sphingoid; tertiary amino compound	EC 2.7.1.91 (sphingosine kinase) inhibitor; metabolite	low
4-hydroxyestradiol	4-hydroxy steroid	metabolite	low
9-hydroxy-10,12-octadecadienoic acid	HODE; octadecadienoic acid	human metabolite; metabolite; mouse metabolite; plant metabolite	low
9-oxo-10,12-octadecadienoic acid	enone; oxooctadecadienoic acid	metabolite	low
13-oxo-9,11-octadecadienoic acid	13-oxo-9,11-octadecadienoic acid; oxo fatty acid	metabolite	low
13,14-dihydro-15-ketoprostaglandin d2	prostaglandins D	metabolite	low
15-keto-13,14-dihydroprostaglandin f2alpha	ketone; prostaglandins Falpha	metabolite	low
2,3-dinor-6-ketoprostaglandin f1alpha	4-oxo monocarboxylic acid; prostanoid; secondary alcohol	metabolite	low
ergosta-7,22-dien-3-ol, (3beta,5alpha,6alpha,22e)-isomer	3beta-sterol	anti-HSV-1 agent; antifungal agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; metabolite	low
calcifediol	D3 vitamins; diol; hydroxycalciol	bone density conservation agent; human metabolite; metabolite; mouse metabolite; nutraceutical	low
cyclosporine	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite	low
oleyl alcohol	fatty alcohol 18:1; long-chain primary fatty alcohol	metabolite; nonionic surfactant	low
fortimicin a	amino cyclitol glycoside; aminoglycoside antibiotic; diol; monocarboxylic acid amide; primary amino compound	antibacterial agent; metabolite	low
3',4',7-trihydroxyisoflavone	7-hydroxyisoflavones	antineoplastic agent; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite	low
6,7,4'-trihydroxyisoflavone	7-hydroxyisoflavones	anti-inflammatory agent; antimutagen; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite; PPARalpha agonist; PPARgamma agonist	low
15-deoxy-delta(12,14)-prostaglandin j2	prostaglandins J	electrophilic reagent; insulin-sensitizing drug; metabolite	low
cytochalasin b	cytochalasin; lactam; lactone; organic heterotricyclic compound	actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor	low
ciguatoxins	ciguatoxin	metabolite	low
12-hydroxy-5,8,10-heptadecatrienoic acid	hydroxy polyunsaturated fatty acid; long-chain fatty acid; trienoic fatty acid	metabolite	low
bisdemethoxycurcumin	beta-diketone; diarylheptanoid; enone; polyphenol	EC 3.2.1.1 (alpha-amylase) inhibitor; metabolite	low
clausine e	carbazoles	metabolite	low
ethyl caffeate	alkyl caffeate ester; ethyl ester; hydroxycinnamic acid	anti-inflammatory agent; antineoplastic agent; metabolite	low
heptaphylline	carbazoles	metabolite	low
pellitorine	fatty amide	metabolite	low
andrographolide	carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol	anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite	low
isorhamnetin-3-o-galactoside	beta-D-galactoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone	metabolite	low
isorhamnetin 3-o-glucoside	beta-D-glucoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone	metabolite	low
kaempferol-3-o-rutinoside	disaccharide derivative; kaempferol O-glucoside; rutinoside; trihydroxyflavone	metabolite; plant metabolite; radical scavenger	low
ligustilide	butenolide	metabolite	low
7,4'-dihydroxy-3'-methoxyisoflavone	7-hydroxyisoflavones; methoxyisoflavone	antiplasmodial drug; metabolite	low
sappanchalcone	catechols; chalcones; monomethoxybenzene	anti-allergic agent; anti-inflammatory agent; antioxidant; metabolite	low
methyl brevifolincarboxylate	cyclic ketone; delta-lactone; organic heterotricyclic compound; phenols	EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite; platelet aggregation inhibitor; radical scavenger; vasodilator agent	low
3-deoxysappanchalcone	chalcones; monomethoxybenzene; phenols	metabolite	low
nostocarboline	alkaloid; beta-carbolines; organic cation; organochlorine compound	antimalarial; EC 3.1.1.8 (cholinesterase) inhibitor; metabolite	low
ergosterol-5,8-peroxide	3beta-sterol; ergostanoid; organic peroxide; phytosterols	antimycobacterial drug; antineoplastic agent; metabolite; trypanocidal drug	low
3-(4-hydroxy-3-methoxyphenyl)-n-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide	hydroxycinnamic acid	metabolite	low
macluraxanthone b	phenols; xanthones	anti-HIV agent; antineoplastic agent; metabolite	low
flavokawain b	chalcones; dimethoxybenzene; phenols	anti-inflammatory agent; antileishmanial agent; antineoplastic agent; apoptosis inducer; metabolite	low
alternariol	benzochromenone; phenols	EC 3.1.1.8 (cholinesterase) inhibitor; metabolite; mycotoxin	low
cis-3-hexenyl acetate	acetate ester; olefinic compound	metabolite	low
pipercallosidine	alkaloid; benzodioxoles; enamide; secondary carboxamide	apoptosis inducer; metabolite; plant metabolite	low
n-(4-hydroxy-beta-phenethyl)-4-hydroxycinnamide	hydroxycinnamic acid	metabolite	low
7-hydroxyisoflavone	7-hydroxyisoflavones	EC 1.14.14.14 (aromatase) inhibitor; metabolite	low
flazin	harmala alkaloid	metabolite	low
11-hydroxynoracronycine	acridines	metabolite	low
jaceosidin	dimethoxyflavone; trihydroxyflavone	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; metabolite	low
5,7,3'-trihydroxy-3,4'-dimethoxyflavone	dimethoxyflavone; trihydroxyflavone	antineoplastic agent; metabolite	low
salutaridine	morphinane alkaloid	anti-HBV agent; metabolite	low
cytochalasin e	cytochalasan alkaloid	metabolite	low
artocarpin lectin	monomethoxyflavone; trihydroxyflavone	antineoplastic agent; metabolite	low
fumarates	butenedioate; C4-dicarboxylate	human metabolite; metabolite; Saccharomyces cerevisiae metabolite	low
bleomycin	bleomycin	antineoplastic agent; metabolite	low
1,7-dihydroxy-4-methoxyxanthone	aromatic ether; phenols; xanthones	metabolite; plant metabolite	low
demethoxycurcumin	beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antineoplastic agent; metabolite	low
bergamottin	furanocoumarin	metabolite	low
alanyl-alanyl-alanine	tripeptide	metabolite	low
24-ethyl-4-cholesten-3-one	C29-steroid; steroid	metabolite	low
myricetin 3-o-glucuronide	monosaccharide derivative; myricetin O-glucuronide; pentahydroxyflavone	metabolite	low
phenylalanylalanine	dipeptide zwitterion; dipeptide	metabolite	low
alpinumisoflavone	isoflavanones	metabolite	low
alpha-aspartylalanine	dipeptide	metabolite	low
alanyltyrosine	dipeptide	metabolite	low
arglabin	epoxide; gamma-lactone; organic heterotetracyclic compound; sesquiterpene lactone	antineoplastic agent; metabolite	low
ap 10	diterpene lactone	metabolite	low
quercetin 7-rhamnoside	alpha-L-rhamnoside; flavonols; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	metabolite	low
albonoursin	2,5-diketopiperazines	metabolite	low
oroidin	pyrroles; secondary carboxamide	metabolite	low
monorden	cyclic ketone; enone; epoxide; macrolide antibiotic; monochlorobenzenes; phenols	antifungal agent; metabolite; tyrosine kinase inhibitor	low
apratoxin a	1,3-thiazoles; apratoxin	antineoplastic agent; metabolite	low
(-)-catechin-3-O-gallate	flavans; gallate ester; polyphenol	metabolite	low
aspartyllysine	dipeptide	metabolite	low
arginyllysine	dipeptide	metabolite	low
hygromycin a	hydroxycinnamic acid	metabolite	low
latrunculin b	cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone	actin polymerisation inhibitor; metabolite; toxin	low
falcarindiol	organic molecular entity	metabolite	low
dehydroergosterol	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	biomarker; metabolite	low
n-oleoylglycine	fatty amide; N-acylglycine 18:1	metabolite	low
rhizoxin	1,3-oxazoles; epoxide; macrolide antibiotic	antimitotic; antineoplastic agent; metabolite	low
manoalide	butenolide; lactol; sesterterpenoid	EC 3.1.1.4 (phospholipase A2) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite	low
concanamycin a	carbamate ester; concanamycin	antifungal agent; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; metabolite	low
n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid	enoate ester; methyl ester; monocarboxylic acid amide	metabolite	low
thunberginol f	catechols; gamma-lactone; isobenzofuranone	metabolite; plant metabolite	low
pyracrenic acid	triterpenoid	metabolite	low
eicosa-11,14-dienoic acid, (z,z)-isomer	icosadienoic acid	metabolite	low
yuanhuadine	diterpenoid	metabolite	low
tiglylglycine	N-acylglycine	metabolite	low
(2E,4E)-N-isobutyl-2,4-dodecadienamide	fatty amide	metabolite	low
mycothiazole	thiazoles	metabolite	low
13-oxo-9,11-octadecadienoic acid	13-oxo-9,11-octadecadienoic acid	metabolite; mouse metabolite	low
linderalactone	butenolide	metabolite	low
pros-methylimidazoleacetic acid	imidazolyl carboxylic acid	metabolite	low
cellobionic acid	carbohydrate acid; disaccharide	metabolite	low
pseudopteroxazole	tetralins	metabolite	low
sophoraflavanone a	(2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone	antibacterial agent; antineoplastic agent; metabolite	low
panduratin a	diarylheptanoid	metabolite	low
stigmasterol 3-o-beta-d-glucopyranoside	beta-D-glucoside; monosaccharide derivative; phytosterols; steroid saponin	metabolite	low
17-hydroxyjolkinolide b	diterpene lactone	metabolite	low
sq-23377	cyclic ether; enol; polyunsaturated fatty acid; very long-chain fatty acid	calcium ionophore; metabolite	low
corosolic acid	triterpenoid	metabolite	low
cyclo(prolyl-valyl)	piperazinone	metabolite	low
phenylalanylglycine	dipeptide	metabolite	low
leucyl-phenylalanine	dipeptide	metabolite	low
glutamylalanine	dipeptide	metabolite	low
glutaminyl-glycine	dipeptide	metabolite	low
methionylglycine	dipeptide	metabolite	low
valylleucine	dipeptide	metabolite	low
phenylalanyl-valine	dipeptide	metabolite	low
cyclo(glycyltryptophyl)	indoles	metabolite	low
alanylglycine	dipeptide zwitterion; dipeptide	metabolite	low
valyltyrosine	dipeptide	metabolite	low
alpha-glutamyltryptophan	dipeptide	metabolite	low
lysylglutamic acid	dipeptide	metabolite	low
methionylglutamic acid	dipeptide	metabolite	low
seryl-histidine	dipeptide	metabolite	low
arginyl-glutamine	dipeptide	metabolite	low
phenylalanylproline	dipeptide	metabolite	low
lysylglycine	dipeptide	metabolite	low
glycylhistidine	dipeptide zwitterion; dipeptide	metabolite	low
kopsinine	indole alkaloid	metabolite	low
cyclo(leucyl-phenylalanyl)	2,5-diketopiperazines	metabolite	low
prolylisoleucine	dipeptide	metabolite	low
phenylalanyl-valine	dipeptide	metabolite	low
isoleucyl-tyrosine	dipeptide	metabolite	low
prolyl-serine	dipeptide	metabolite	low
grayanotoxin i	acetate ester; pentol; secondary alcohol; tertiary alcohol; tetracyclic diterpenoid	antihypertensive agent; metabolite; neuromuscular agent; phytotoxin	low
19-norandrosterone	17-oxo steroid	metabolite	low
s-allylcysteine	L-alpha-amino acid zwitterion; S-hydrocarbyl-L-cysteine	antineoplastic agent; metabolite	low
oleandrigenin	14beta-hydroxy steroid; 3beta-hydroxy steroid; steroid ester	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite	low
valyl-prolyl-proline	tripeptide	metabolite	low
prolylvaline	dipeptide	metabolite	low
palbinone	16-oxo steroid	metabolite	low
pseurotin	azaspiro compound; lactam; oxaspiro compound	metabolite	low
gambogic acid	pyranoxanthones	metabolite	low
xenovulene a	cyclic ether; enone; organic heterotetracyclic compound; sesquiterpenoid	GABA antagonist; metabolite	low
fr 148083	aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone	antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor	low
LL-Z1640-1	macrolide; resorcinols	metabolite	low
9-methoxycanthin-6-one	aromatic ether; indole alkaloid; organic heterotetracyclic compound	antineoplastic agent; antiplasmodial drug; metabolite	low
n-acetylcarnosine	dipeptide	metabolite	low
cholest-5-en-3-one	3-oxo-Delta(5)-steroid; cholestanoid	metabolite	low
kaempferol 3-O-beta-L-glucopyranoside	beta-L-glucoside; flavonols; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone	metabolite	low
rubraxanthone	aromatic ether; polyphenol; xanthones	antibacterial agent; antineoplastic agent; metabolite	low
ubiquinol	polyprenylhydroquinone; ubiquinol	biomarker; metabolite	low
landomycin a	oligosaccharide	metabolite	low
ancistroealaine a	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes	antileishmanial agent; antiplasmodial drug; metabolite; trypanocidal drug	low
cerberin	acetate ester; cardenolide glycoside; monosaccharide derivative	antineoplastic agent; metabolite	low
actein	triterpenoid	metabolite	low
araloside a	triterpenoid saponin	metabolite	low
ageladine a	alkaloid; aromatic amine; imidazopyridine; organobromine compound; pyrroles	angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor; metabolite	low
corynoxine b	indolizines	metabolite	low
kaempferol 7-o-glucoside	beta-D-glucoside; flavonols; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone	metabolite; plant metabolite; radical scavenger	low
delphinidin 3-sambubioside	anthocyanidin 3-O-beta-D-sambubioside	apoptosis inducer; metabolite	low
nodosin	delta-lactone	metabolite	low
protylonolide	diol; enone; macrolide	metabolite	low
arisugacin	aromatic ether; delta-lactone; enone; organic heterotetracyclic compound; tertiary alcohol	antimicrobial agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; Penicillium metabolite	low
nymphaeol c	4'-hydroxyflavanones; tetrahydroxyflavanone	metabolite; radical scavenger	low
thonningianin a	tannin	metabolite	low
cephalostatin i	oxo steroid	metabolite	low
papyriflavonol a	3'-hydroxyflavonoid; flavonols; pentahydroxyflavone	EC 1.14.18.1 (tyrosinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; metabolite	low
lactonamycin	gamma-lactone; organic heterohexacyclic compound; phenols; trideoxyhexose derivative	antibacterial agent; antimicrobial agent; metabolite	low
myrsinoic acid b	1-benzofurans; monocarboxylic acid	anti-inflammatory agent; EC 4.4.1.11 (methionine gamma-lyase) inhibitor; metabolite	low
betulone	triterpenoid	metabolite	low
eckstolonol	organic heteropentacyclic compound; oxacycle; phlorotannin	metabolite; radical scavenger	low
manassantin b	benzodioxoles; dimethoxybenzene; lignan; oxolanes; secondary alcohol	antineoplastic agent; metabolite	low
gitaloxin	cardenolide glycoside	metabolite	low
paeonilide	benzoate ester	metabolite	low
dihydroxanthohumol	aromatic ether; dihydrochalcones; polyphenol	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite	low
corynoxine	indolizines	metabolite	low
7-phloroeckol	aromatic ether; phlorotannin	antioxidant; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; metabolite	low
(+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside	beta-D-glucoside; dimethoxybenzene; lignan; monosaccharide derivative; polyphenol; primary alcohol; tetralins	antibacterial agent; antifungal agent; metabolite	low
Sphaeropsidin C	tricyclic diterpenoid	metabolite	low
kelampayoside a	glycoside	metabolite	low
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside	aromatic ether; benzyl alcohols; beta-D-glucoside; monosaccharide derivative; primary alcohol	antineoplastic agent; metabolite	low
2,3-dihydro-3beta-methoxy withaferin A	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide	metabolite; plant metabolite	low
nigranoic acid	dicarboxylic acid; tetracyclic triterpenoid	antineoplastic agent; HIV-1 reverse transcriptase inhibitor; metabolite	low
esculeoside a	azaspiro compound; oxaspiro compound; saponin; steroid alkaloid; steroid saponin	antineoplastic agent; metabolite	low
aerothionin	isoxazoles	metabolite	low
artemisic acid	carbobicyclic compound; monocarboxylic acid; octahydronaphthalenes; sesquiterpenoid	metabolite	low
26-deoxyactein	triterpenoid	metabolite	low
5-formylcytosine	aminopyrimidine; heteroarenecarbaldehyde; nucleobase analogue; pyrimidone	metabolite	low
migrastatin	ether; macrolide antibiotic; piperidones; secondary alcohol	antineoplastic agent; metabolite	low
Lyngbic acid	long-chain fatty acid	metabolite	low
2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)-9h-xanthen-9-one	polyphenol; xanthones	anti-inflammatory agent; antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite	low
bielschowskysin	acetate ester; cyclic acetal; diterpenoid; gamma-lactone; organic heterohexacyclic compound	antimalarial; antineoplastic agent; metabolite	low
procyanidin b1	biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin	anti-inflammatory agent; EC 3.4.21.5 (thrombin) inhibitor; metabolite	low
cyclo(tyrosyl-tyrosyl)	cyclo(tyrosyl-tyrosyl)	metabolite	low
spiculoic acid a	carbobicyclic compound; cyclic ketone; oxo monocarboxylic acid; styrenes	antineoplastic agent; metabolite	low
myrocin a	tertiary alcohol	metabolite	low
3'-o-methylepicatechin	catechin	metabolite	low
episilvestrol	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite	low
protopanaxatriol	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; 6alpha-hydroxy steroid; sapogenin; tetracyclic triterpenoid	metabolite	low
laurinterol	organobromine compound; phenols; sesquiterpenoid	antibacterial agent; apoptosis inducer; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite	low
Pseudopterosin G-J aglycone	diterpenoid	metabolite	low
ceratamine a	alkaloid; aromatic ether; cyclic ketone; organic heterobicyclic compound; organobromine compound; secondary amino compound; tertiary amine	antimitotic; metabolite	low
liphagal	aldehyde; cyclic ether; meroterpenoid; organic heterotetracyclic compound; polyphenol	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; metabolite	low
pulsatilla saponin d	triterpenoid	metabolite	low
diversonol	phenols; tertiary alcohol	antibacterial agent; metabolite	low
neotuberostemonine	alkaloid	metabolite	low
drymaritin	enol ether; enone; indole alkaloid; organic heterotetracyclic compound	anti-HIV agent; metabolite	low
lyoniresinol	dimethoxybenzene; lignan; polyphenol; primary alcohol; tetralins	antineoplastic agent; metabolite	low
silvestrol	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite	low
ginsenoside ro	triterpenoid saponin	metabolite	low
diosgenin glucoside	hexacyclic triterpenoid; monosaccharide derivative; spiroketal; sterol 3-beta-D-glucoside	metabolite	low
pyripyropene a	organic heterotetracyclic compound; sesquiterpenoid	acyl-CoA:cholesterol acyltransferase 2 inhibitor; metabolite	low
3-epioleanolic acid	triterpenoid	metabolite	low
leucylproline	dipeptide zwitterion; dipeptide	metabolite	low
R-(-)-actinodaphnine	aporphine alkaloid	metabolite	low
cytotrienin a	cyclopropanecarboxylate ester; ether; hydroquinones; lactam; macrocycle; secondary alcohol	antibacterial agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; metabolite	low
methylamphotericin b	macrolide; methyl ester; monosaccharide derivative	antifungal agent; antiinfective agent; metabolite	low
2'-methoxykurarinone	4'-hydroxyflavanones; dihydroxyflavanone; dimethoxyflavanone	antineoplastic agent; metabolite	low
verproside	glycoside	metabolite	low
verminoside	hydroxycinnamic acid	metabolite	low
minecoside	hydroxycinnamic acid	metabolite	low
(R)-(+)-6',7'-dihydroxybergamottin	furanocoumarin	metabolite	low
lapidilectine b	indolyl carboxylic acid	metabolite	low
batzelladine a	alkaloid; carboxylic ester; guanidines; organic heterotricyclic compound; pyrrolopyrimidine; triazaacenaphthylene	anti-HIV-1 agent; metabolite	low
alloin	anthracenes; C-glycosyl compound; cyclic ketone; phenols	laxative; metabolite	low
longipinene	alpha-longipinene	metabolite	low
parkeol	3beta-hydroxy-4,4-dimethylsteroid; 3beta-sterol; tetracyclic triterpenoid	metabolite	low
rutundic acid	triterpenoid	metabolite	low
a-factor (streptomyces)	butan-4-olide; primary alcohol	metabolite	low
taraxasteryl acetate	triterpenoid	metabolite	low
chikusetsu saponin iva	triterpenoid saponin	metabolite	low
xestoaminol c	amino alcohol; sphingoid	metabolite	low
malyngamide A	dicarboximide	metabolite	low
simalikalactone D	cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; triol	antimalarial; antineoplastic agent; antiviral agent; metabolite	low
friedelane	triterpene	metabolite	low
shamixanthone	cyclic ketone; phenols; pyranoxanthene	metabolite	low
17,18-epoxy-5,8,11,14-eicosatetraenoic acid	EpETE	metabolite	low
chaetominine	indole alkaloid; lactam; organic heterotetracyclic compound; quinazolines	metabolite	low
schweinfurthin g	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	antineoplastic agent; metabolite	low
salmon calcitonin	heterodetic cyclic peptide; peptide hormone; polypeptide	bone density conservation agent; metabolite	low
complestatin	cyclic ether; heterodetic cyclic peptide; indoles; organic heterobicyclic compound; organochlorine compound; peptide antibiotic; polyphenol	anti-HIV-1 agent; antimicrobial agent; HIV-1 integrase inhibitor; metabolite	low
neuroprotectin a	cyclic ether; heterodetic cyclic peptide; indoles; organochlorine compound; polyphenol	HIV-1 integrase inhibitor; metabolite	low
alx-0600	polypeptide	antioxidant; glucagon-like peptide-2 receptor agonist; metabolite; protective agent	low
schweinfurthin f	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	metabolite	low
antrocamphin a	methoxybenzenes	anti-inflammatory agent; metabolite	low
respirantin	benzamides; cyclodepsipeptide; formamides; phenols	antimicrobial agent; antineoplastic agent; metabolite	low
streptobiosamine	amino disaccharide	metabolite	low
interiotherin b	aromatic ether; fatty acid ester; lignan; organic heteropentacyclic compound; oxacycle	anti-HIV agent; metabolite	low
succinyladenosine	adenosines; amino dicarboxylic acid; L-aspartic acid derivative	metabolite	low
6-tuliposide a	6-O-acyl-D-glucose; homoallylic alcohol	allergen; metabolite	low
glycochenodeoxycholate-3-sulfate	7alpha-hydroxy steroid; bile acid glycine conjugate; steroid sulfate	metabolite	low
wewakazole	cyclic peptide	metabolite	low
spongia-13(16),14-dien-19-oic acid	cyclic ether; monocarboxylic acid; tetracyclic diterpenoid	androgen antagonist; metabolite	low
Icariside E4	benzofurans	metabolite	low
lucidenic acid n	cyclic terpene ketone; dioxo monocarboxylic acid; secondary alcohol; tetracyclic triterpenoid	antineoplastic agent; EC 3.1.1.8 (cholinesterase) inhibitor; metabolite	low
dihydroagarofuran	bridged compound; cyclic ether; eudesmane sesquiterpenoid; organic heterotricyclic compound	metabolite	low
23-epi-26-deoxyactein	triterpenoid	metabolite	low
23-hydroxybetulinic acid	triterpenoid	metabolite	low
(1S,3aR,4S,6S,6aS,9aS,9bS)-9a-isocyano-6-(2-isocyano-2-methylpropyl)-1,4-dimethyl-7-methylidene-2,3,3a,4,5,6,6a,8,9,9b-decahydro-1H-phenalene	diterpenoid	metabolite	low
bromophycolide a	diterpenoid; macrolide; organobromine compound; phenols; tertiary alcohol	anti-HIV agent; antibacterial agent; antifungal agent; antimalarial; antineoplastic agent; metabolite	low
2-acetamidoglucal	acetamides; glycal derivative	metabolite	low
diorcinol	aromatic ether; phenols	fungal metabolite; marine metabolite; metabolite	low
caribenol a	organic heterotetracyclic compound; terpene lactone; tertiary alcohol	antimalarial; antitubercular agent; metabolite	low
halisulfate 1	organic molecular entity	metabolite	low
6-O-feruloylcatalpol	hydroxycinnamic acid	metabolite	low
grassypeptolide	cyclodepsipeptide; macrocycle	antineoplastic agent; metabolite	low
essramycin	triazolopyrimidines	metabolite	low
ainsliadimer a	sesquiterpene lactone; spiro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite	low
salvileucalin b	bridged compound; diterpenoid; furans; gamma-lactone	antineoplastic agent; metabolite	low
ciliatamide a	caprolactams; lipopeptide	antileishmanial agent; metabolite	low
etnangien	hydroxy monocarboxylic acid; macrolide antibiotic	antibacterial agent; metabolite	low
latrunculol a	macrolide	metabolite	low
N-trans-sinapoyltyramine	hydroxycinnamic acid	metabolite	low
lycojapodine a	alkaloid; bridged compound; cyclic ketone; lactone; organic heterotetracyclic compound	anti-HIV-1 agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite	low
epi-maslinic acid	dihydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory agent; metabolite	low
eoxin c4	eoxin; leukotriene	metabolite	low
brartemicin	benzoate ester; glycosyl glycoside derivative; resorcinols	antimicrobial agent; metabolite	low
Majusculamide AB	amino acid amide	metabolite	low
7,8-dihydroxyflavanone	dihydroxyflavanone	antineoplastic agent; metabolite	low
antcin a	ergostanoid	metabolite	low
integric acid	carboxylic ester; cyclic ketone; dioxo monocarboxylic acid; enal; enone; eremophilane sesquiterpenoid	HIV-1 integrase inhibitor; metabolite	low
vanilloloside	glycoside	metabolite	low
2,3-dihydro-3beta-O-sulfate withaferin A	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; steroid sulfate; withanolide	antineoplastic agent; metabolite; plant metabolite	low
dicranin	acetylenic fatty acid; long-chain fatty acid; straight-chain fatty acid; trienoic fatty acid	antibacterial agent; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; metabolite	low
leachianone a	4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone	antimalarial; antineoplastic agent; metabolite	low
hordatine a	aromatic ether; benzofurans; dicarboxylic acid diamide; guanidines; phenols	adrenergic antagonist; metabolite	low
englerin a	cinnamate ester; glycolate ester; guaiane sesquiterpenoid	antineoplastic agent; metabolite	low
monanchocidin	organic molecular entity	metabolite	low
eurycomanone	cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; pentol; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; tertiary alcohol	antimalarial; antineoplastic agent; metabolite	low
sphaeropsidin a	gamma-lactone	metabolite	low
gardenoside	beta-D-glucoside; cyclopentapyran; enoate ester; methyl ester; monosaccharide derivative; tertiary alcohol	metabolite	low
landomycin d	anthraquinone	metabolite	low
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid	11-oxo steroid; 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; secondary alpha-hydroxy ketone; steroid acid	antineoplastic agent; metabolite	low
antcin k	bile acid	metabolite	low
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid	11-oxo steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; steroid acid	antineoplastic agent; cholinergic antagonist; metabolite; serotonergic antagonist	low
shizukaol B	triterpenoid	metabolite	low
shizukaol f	triterpenoid	metabolite	low
calicheamicin gamma(1)i	calicheamicin; enediyne antibiotic; organoiodine compound	antineoplastic agent; metabolite	low
staphyloxanthin	apo carotenoid triterpenoid; D-aldohexose derivative; fatty acid ester; triol; xanthophyll	antioxidant; biological pigment; metabolite; virulence factor	low
sm 1 peptide	acetate ester; ergot alkaloid	metabolite	low
mycocyclosin	2,5-diketopiperazines; organic heterotetracyclic compound; polyphenol	metabolite	low
callipeltin a	cyclodepsipeptide; guanidines; lactone; oligopeptide; phenols	anti-HIV-1 agent; antifungal agent; metabolite	low
vinylamycin	cyclodepsipeptide; macrocycle; primary alcohol	antibacterial agent; antimicrobial agent; metabolite	low
promegestone	terpene lactone	metabolite	low
lancifodilactone g	cyclic ether; diol; enol; gamma-lactone; oxaspiro compound; triterpenoid	anti-HIV agent; metabolite	low
rediocide a	diterpenoid; epoxide; ortho ester; terpene lactone	insecticide; metabolite	low
lasiokaurin	kaurane diterpenoid	metabolite	low
longikaurin a	kaurane diterpenoid	metabolite	low
ponicidin	dioxanes	metabolite	low
(Z)-6,6',7,3'a-Diligustilide	butenolide	metabolite	low
suvanine	organic molecular entity	metabolite	low
shizukaol d	triterpenoid	metabolite	low
thailandepsin a	cyclodepsipeptide	metabolite	low
nordidemnin b	didemnin	metabolite	low
4-formylaminooxyvinylglycine	non-proteinogenic alpha-amino acid	metabolite	low
platycoside e	triterpenoid saponin	metabolite	low
leuconoxine	alkaloid	metabolite	low
epidermin	macrocycle; type A lantibiotic	antibacterial agent; metabolite	low
surfactin A	cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone	antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; surfactant	low
myriaporone 3	beta-hydroxy ketone; epoxide; lactol; oxanes; primary alcohol; secondary alcohol	antineoplastic agent; metabolite	low
avenacoside b	beta-D-glucoside; hexacyclic triterpenoid; spiroketal; steroid saponin; tetrasaccharide derivative	metabolite	low
3-methylglutarylcarnitine	O-methylglutarylcarnitine	metabolite	low
pivaloylcarnitine	C5-acylcarnitine	metabolite	low
levoleucovorin	5-formyltetrahydrofolic acid	antineoplastic agent; metabolite	low
7,8-dihydroneopterin	dihydropterin; neopterins	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite	low
guanosine monophosphate	guanosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	biomarker; Escherichia coli metabolite; metabolite; mouse metabolite	low
2-amino-4-oxo-6-acetyl-7,8-dihydro-3h,9h-pyrimidodiazepine	methyl ketone; pyrimidodiazepine	metabolite	low
dyspropterin	biopterins; tetrahydropterin	human metabolite; metabolite; mouse metabolite	low
2'-o-methylguanosine	methylguanosine	metabolite	low
allopurinol riboside	nucleoside analogue	metabolite	low
norclozapine	dibenzodiazepine; organochlorine compound; piperazines	delta-opioid receptor agonist; metabolite; serotonergic antagonist	low
7-methylguanosine	methylguanosine; organic cation	metabolite	low
3'-o-methylguanosine	methylguanosine	metabolite	low
primapterin	biopterins	metabolite	low
7-methylinosine	inosines; organic cation	metabolite	low
marineosin a	azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles	antineoplastic agent; metabolite	low
marineosin b	azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles	antineoplastic agent; metabolite	low
amlexanox	monocarboxylic acid; pyridochromene	anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug	low
astemizole	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist	low
azelastine	monochlorobenzenes; phthalazines; tertiary amino compound	anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor	low
carbinoxamine	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist	low
cetirizine	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic	low
chlorpheniramine	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor	low
cyproheptadine	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist	low
diphenhydramine	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative	low
doxylamine	pyridines; tertiary amine	anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative	low
emedastine	benzimidazoles	anti-allergic agent; antipruritic drug; H1-receptor antagonist	low
epinastine	benzazepine; guanidines	anti-allergic agent; H1-receptor antagonist; histamine antagonist; ophthalmology drug	low
fexofenadine	piperidines; tertiary amine	anti-allergic agent; H1-receptor antagonist	low
loratadine	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist	low
methapyrilene	ethylenediamine derivative	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative	low
oxatomide	benzimidazoles; diarylmethane; N-alkylpiperazine	anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist	low
promethazine	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative	low
promethazine hydrochloride	hydrochloride	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative	low
triamcinolone acetonide	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug	low
brompheniramine	organobromine compound; pyridines	anti-allergic agent; H1-receptor antagonist	low
scoparone	aromatic ether; coumarins	anti-allergic agent; anti-inflammatory agent; antihypertensive agent; antilipemic drug; immunosuppressive agent; plant metabolite	low
methapyrilene hydrochloride	hydrochloride	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative	low
diphenhydramine hydrochloride	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative	low
dexbrompheniramine	brompheniramine	anti-allergic agent; H1-receptor antagonist	low
azatadine	benzocycloheptapyridine; tertiary amine	anti-allergic agent; H1-receptor antagonist	low
clemastine	monochlorobenzenes; N-alkylpyrrolidine	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist	low
triamcinolone	11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug	low
nedocromil	dicarboxylic acid; organic heterotricyclic compound	anti-allergic agent; anti-asthmatic drug; non-steroidal anti-inflammatory drug	low
azelastine hydrochloride	hydrochloride	anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor	low
hydrangenol	dihydroisocoumarins; phenols	anti-allergic agent; plant metabolite	low
desloratadine	benzocycloheptapyridine	anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist	low
glycyrrhetyl 3-monoglucuronide	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	low
secoxyloganin	beta-D-glucoside; dicarboxylic acid monoester; enoate ester; methyl ester; monosaccharide derivative; pyrans; secoiridoid glycoside	anti-allergic agent; antioxidant; plant metabolite	low
tau 284	organosulfonate salt	anti-allergic agent; H1-receptor antagonist	low
mometasone furoate	11beta-hydroxy steroid; 2-furoate ester; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; organochlorine compound; steroid ester	anti-allergic agent; anti-inflammatory drug	low
fluticasone propionate	11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; propanoate ester; steroid ester; thioester	adrenergic agent; anti-allergic agent; anti-asthmatic drug; anti-inflammatory drug; bronchodilator agent; dermatologic drug	low
rhapontin	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	low
cinnarizine	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist	low
brompheniramine maleate	maleate salt	anti-allergic agent	low
clemastine fumarate	fumarate salt	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist	low
petasin	alicyclic ketone; enoate ester; enone; sesquiterpenoid	anti-allergic agent; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} activator; plant metabolite; vasodilator agent	low
myricitrin	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	low
tranilast	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent	low
carbinoxamine maleate	maleate salt	anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist	low
fluticasone	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; fluorinated steroid; thioester	anti-allergic agent; anti-asthmatic drug	low
5,4'-dihydroxy-7,3'-dimethoxyflavone	dihydroxyflavone; dimethoxyflavone	anti-allergic agent; anti-inflammatory agent; antibacterial agent; antioxidant; melanin synthesis inhibitor; plant metabolite	low
dexbrompheniramine maleate	brompheniramine maleate	anti-allergic agent; H1-receptor antagonist	low
capsiate	carboxylic ester; monomethoxybenzene; phenols	angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antioxidant; capsaicin receptor agonist; hypoglycemic agent; plant metabolite	low
ginsenoside m1	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	low
fluticasone furoate	11beta-hydroxy steroid; 2-furoate ester; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; steroid ester; thioester	anti-allergic agent; anti-asthmatic drug; prodrug	low
abt-737	aromatic amine; aryl sulfide; biphenyls; C-nitro compound; monochlorobenzenes; N-arylpiperazine; N-sulfonylcarboxamide; secondary amino compound; tertiary amino compound	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor	low
tixocortol pivalate	corticosteroid; pivalate ester; tertiary alpha-hydroxy ketone; thioester	allergen; anti-allergic agent; glucocorticoid receptor agonist	low
alcaftadine	aldehyde; imidazobenzazepine; piperidines; tertiary amino compound	anti-allergic agent; H1-receptor antagonist	low
(S)-carbinoxamine maleate	carbinoxamine maleate	anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist	low

Substance	Classes	Roles	Relationship Strength
monotropein	beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monocarboxylic acid; monosaccharide derivative	anti-inflammatory agent; metabolite	low
asperuloside	acetate ester; beta-D-glucoside; gamma-lactone; iridoid monoterpenoid; monosaccharide derivative	metabolite	low
prunin protein, prunus	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; flavanone 7-O-beta-D-glucoside; monosaccharide derivative	antibacterial agent; antilipemic drug; hypoglycemic agent; metabolite	low
digoxigenin-mono(digitoxoside)	cardenolide glycoside; digitoxoside; monosaccharide derivative; steroid saponin	metabolite	low
amarogentin	monosaccharide derivative; secoiridoid glycoside	EC 5.99.1.2 (DNA topoisomerase) inhibitor; metabolite	low
aclacinomycin	aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion	antimicrobial agent; antineoplastic agent; metabolite	low
phellamurin	4'-hydroxyflavanones; beta-D-glucoside; dihydroflavonols; flavanone glycoside; monosaccharide derivative; trihydroxyflavanone	metabolite	low
saponarin	C-glycosyl compound; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative	metabolite	low
cyanidin 3-o-beta-d-glucopyranoside	anthocyanin cation; beta-D-glucoside; monosaccharide derivative	metabolite	low
furostanol i	beta-D-glucoside; cyclic hemiketal; pentacyclic triterpenoid; steroid saponin; trisaccharide derivative	metabolite	low
eugeniin	beta-D-glucoside; ellagitannin; gallate ester; lactone	anti-HSV-1 agent; antifungal agent; antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite	low
acanthoside b	beta-D-glucoside	metabolite	low
petunidin-3-glucoside	anthocyanin cation; aromatic ether; beta-D-glucoside	antioxidant; metabolite	low
malvidin-3-glucoside	anthocyanin cation; aromatic ether; beta-D-glucoside	metabolite	low
luteolin-7-glucuronide	glycosyloxyflavone; luteolin O-glucuronoside; monosaccharide derivative; trihydroxyflavone	metabolite	low
apigetrin	beta-D-glucoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative	antibacterial agent; metabolite; non-steroidal anti-inflammatory drug	low
esculin	beta-D-glucoside; hydroxycoumarin	antioxidant; metabolite	low
norswertianolin	beta-D-glucoside; xanthones	EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite	low
astringin	beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid	antineoplastic agent; antioxidant; metabolite	low
polydatin	beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid	anti-arrhythmia drug; antioxidant; geroprotector; hepatoprotective agent; metabolite; nephroprotective agent; potassium channel modulator	low
quercimeritrin	beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antioxidant; metabolite	low
isorhamnetin-3-o-galactoside	beta-D-galactoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone	metabolite	low
isorhamnetin 3-o-glucoside	beta-D-glucoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone	metabolite	low
myricetin 3-o-glucuronide	monosaccharide derivative; myricetin O-glucuronide; pentahydroxyflavone	metabolite	low
quercetin 7-rhamnoside	alpha-L-rhamnoside; flavonols; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	metabolite	low
stigmasterol 3-o-beta-d-glucopyranoside	beta-D-glucoside; monosaccharide derivative; phytosterols; steroid saponin	metabolite	low
kaempferol 3-O-beta-L-glucopyranoside	beta-L-glucoside; flavonols; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone	metabolite	low
cerberin	acetate ester; cardenolide glycoside; monosaccharide derivative	antineoplastic agent; metabolite	low
kaempferol 7-o-glucoside	beta-D-glucoside; flavonols; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone	metabolite; plant metabolite; radical scavenger	low
(+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside	beta-D-glucoside; dimethoxybenzene; lignan; monosaccharide derivative; polyphenol; primary alcohol; tetralins	antibacterial agent; antifungal agent; metabolite	low
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside	aromatic ether; benzyl alcohols; beta-D-glucoside; monosaccharide derivative; primary alcohol	antineoplastic agent; metabolite	low
diosgenin glucoside	hexacyclic triterpenoid; monosaccharide derivative; spiroketal; sterol 3-beta-D-glucoside	metabolite	low
methylamphotericin b	macrolide; methyl ester; monosaccharide derivative	antifungal agent; antiinfective agent; metabolite	low
gardenoside	beta-D-glucoside; cyclopentapyran; enoate ester; methyl ester; monosaccharide derivative; tertiary alcohol	metabolite	low
avenacoside b	beta-D-glucoside; hexacyclic triterpenoid; spiroketal; steroid saponin; tetrasaccharide derivative	metabolite	low
glycyrrhetyl 3-monoglucuronide	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	low
secoxyloganin	beta-D-glucoside; dicarboxylic acid monoester; enoate ester; methyl ester; monosaccharide derivative; pyrans; secoiridoid glycoside	anti-allergic agent; antioxidant; plant metabolite	low
myricitrin	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	low
ginsenoside m1	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	low

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	1990's	2000's	2010's
hydrogen cyanide	1	hydracid; one-carbon compound	Escherichia coli metabolite; human metabolite; poison	2011	2011	13.0	low	0	0	1
linamarin	1	beta-D-glucoside		2004	2004	20.0	low	0	1	0
cromolyn sodium	1	organic sodium salt	anti-asthmatic drug; drug allergen	1996	1996	28.0	low	1	0	0
glucose, (beta-d)-isomer	3	D-glucopyranose	epitope; mouse metabolite	2004	2012	15.0	high	0	1	2
lotaustralin	1	cyanogenic glycoside		2004	2004	20.0	medium	0	1	0
glycosides	6			1995	2013	18.8	high	2	1	3
amygdalin	1			2013	2013	11.0	low	0	0	1

Condition	Indicated	Studies	First Year	Last Year	Average Age	Relationship Strength	Trials	pre-1990	1990's	2000's	2010's	post-2020
Allergic Reaction	0	1	1995	1995	29.0	high	0	0	1	0	0	0
Hypersensitivity	0	1	1995	1995	29.0	high	0	0	1	0	0	0

rhodiocyanoside a

Description

Cross-References

Synonyms (18)

Roles (2)

Drug Classes (4)

Research

Studies (6)

Study Types

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Related Conditions (2)