Exact Mass: 376.1461
Exact Mass Matches: 376.1461
Found 500 metabolites which its exact mass value is equals to given mass value 376.1461
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ailanthone
Ailanthone is a triterpenoid. Ailanthone (Δ13-Dehydrochaparrinone) is a potent inhibitor of both full-length androgen receptor (AR) (IC50=69?nM) and constitutively active truncated AR splice variants (AR1-651 IC50=309?nM). Ailanthone (Δ13-Dehydrochaparrinone) is a potent inhibitor of both full-length androgen receptor (AR) (IC50=69?nM) and constitutively active truncated AR splice variants (AR1-651 IC50=309?nM).
1,2-Anhydridoniveusin
1,2-Anhydridoniveusin is found in fats and oils. 1,2-Anhydridoniveusin is a constituent of Helianthus annuus (sunflower) Constituent of Helianthus annuus (sunflower). 1,2-Anhydridoniveusin is found in sunflower and fats and oils.
Carissanol
Carissanol is found in fruits. Carissanol is a constituent of Carissa edulis (agam)
(1E,4Z,6a,8b,10a)-8-Angeloyloxy-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide
(1E,4Z,6a,8b,10a)-8-Angeloyloxy-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide is found in fats and oils. (1E,4Z,6a,8b,10a)-8-Angeloyloxy-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). (1E,4Z,6a,8b,10a)-8-Angeloyloxy-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide is found in fats and oils.
trans-Grandmarin isovalerate
trans-Grandmarin isovalerate is found in citrus. trans-Grandmarin isovalerate is a constituent of citron (Citrus medica). Constituent of citron (Citrus medica). trans-Grandmarin isovalerate is found in citrus.
alpha-Peroxyachifolide
alpha-Peroxyachifolide is found in herbs and spices. alpha-Peroxyachifolide is a constituent of Achillea millefolium (yarrow). Constituent of Achillea millefolium (yarrow). alpha-Peroxyachifolide is found in herbs and spices.
Diosbulbin A
Diosbulbin A is found in root vegetables. Diosbulbin A is a constituent of Dioscorea bulbifera (air potato) Constituent of Dioscorea bulbifera (air potato). Diosbulbin A is found in root vegetables.
Diosbulbin F
Diosbulbin F is found in root vegetables. Diosbulbin F is isolated from Dioscorea bulbifera (air potato). Isolated from Dioscorea bulbifera (air potato). Diosbulbin F is found in root vegetables.
2'-Hydroxy-3',4',5',7,8-pentamethoxyflavan
2-Hydroxy-3,4,5,7,8-pentamethoxyflavan is found in fruits. 2-Hydroxy-3,4,5,7,8-pentamethoxyflavan is a constituent of the roots of Muntingia calabura (Jamaica cherry). Constituent of the roots of Muntingia calabura (Jamaica cherry). 2-Hydroxy-3,4,5,7,8-pentamethoxyflavan is found in fruits.
5alpha-Hydroxytriptolide
Tripdiolide
Todolactol A
Todolactol a is a member of the class of compounds known as dibenzylbutyrolactols. Dibenzylbutyrolactols are lignan compounds containing a 3,4-dibenzyloxolan-2-ol moiety. Todolactol a is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Todolactol a can be found in sesame, which makes todolactol a a potential biomarker for the consumption of this food product.
(-)-Olivil
(-)-olivil is a member of the class of compounds known as 7,9-epoxylignans. 7,9-epoxylignans are lignans that contain the 7,9-epoxylignan skeleton, which consists of a tetrahydrofuran that carries a phenyl group, a methyl group, and a benzyl group at the 2-, 3-, 4-position, respectively (-)-olivil is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (-)-olivil can be found in olive, which makes (-)-olivil a potential biomarker for the consumption of this food product.
15-Hydroxy-3-dehydrodeoxyfruticin
15-hydroxy-3-dehydrodeoxyfruticin belongs to germacranolides and derivatives class of compounds. Those are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. 15-hydroxy-3-dehydrodeoxyfruticin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 15-hydroxy-3-dehydrodeoxyfruticin can be found in sunflower, which makes 15-hydroxy-3-dehydrodeoxyfruticin a potential biomarker for the consumption of this food product.
(+)-Cycloolivil
(+)-cycloolivil is a member of the class of compounds known as 9,9p-dihydroxyaryltetralin lignans. 9,9p-dihydroxyaryltetralin lignans are lignans with a structure based on the 1-phenyltetralin skeleton carrying a hydroxyl group at the 9- and the 9- position (+)-cycloolivil is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (+)-cycloolivil can be found in olive, which makes (+)-cycloolivil a potential biomarker for the consumption of this food product.
L-Olivil
L-olivil is a member of the class of compounds known as 7,9-epoxylignans. 7,9-epoxylignans are lignans that contain the 7,9-epoxylignan skeleton, which consists of a tetrahydrofuran that carries a phenyl group, a methyl group, and a benzyl group at the 2-, 3-, 4-position, respectively. L-olivil is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). L-olivil can be found in olive, which makes L-olivil a potential biomarker for the consumption of this food product.
Deacetyldemethylpseudolaric acid B
Demethoxydeacetoxypseudolaric acid B is a metabolite of the glucoside of pseudolaric acid C2 (PC2)[1]. Demethoxydeacetoxypseudolaric acid B is a metabolite of the glucoside of pseudolaric acid C2 (PC2)[1].
SN-22
7-ethylcamptothecin is a pyranoindolizinoquinoline. 7-Ethylcamptothecin is one of camptothecin analogues. camptothecin (CPT), a cytotoxic alkaloid isolated from Camptotheca acuminata, is shown to have strong antitumor activity against L1210 leukemia and Walker 256 carcinosarcoma models[1]. 7-Ethylcamptothecin is one of camptothecin analogues. camptothecin (CPT), a cytotoxic alkaloid isolated from Camptotheca acuminata, is shown to have strong antitumor activity against L1210 leukemia and Walker 256 carcinosarcoma models[1].
4-(4-Hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydro-2,6-naphthalenediol
[3aR-(3aalpha,4beta,6beta,6aalpha,9aalpha,9bbeta)]-2,3,3a,4,5,6,6a,7,9a,9b-Decahydro-6,8-dihydroxy-6,9-dimethyl-3-methylene-2,7-dioxoazuleno[4,5-b]furan-4-yl ester 2-methyl-2-butenoic acid
demethoxydeacetoxypseudolaric acid B
Demethoxydeacetoxypseudolaric acid B is a metabolite of the glucoside of pseudolaric acid C2 (PC2)[1]. Demethoxydeacetoxypseudolaric acid B is a metabolite of the glucoside of pseudolaric acid C2 (PC2)[1].
Zinaflorin IV
[3aS-[3aalpha,4beta,5beta,6alpha(S*),7alpha(Z),7abeta]]-5-(1-Formylethenyl)octahydro-4-hydroxy-6-methyl-3-methylene-6-oxiranyl-2-oxo-7-benzofuranyl ester 2-methyl-2-butenoic acid
[3aS-[3aalpha,4beta(Z),5beta,6alpha(S*),7alpha,7abeta]]-5-(1-Formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-6-oxiranyl-2-oxo-4-benzofuranyl ester 2-methyl-2-butenoic acid
16-Hydroxytriptolide
A tetracyclic diterpenoid with formula C20H24O7, originally isolated from the roots and leaves of Tripterygium wilfordii.
Bisphenol A (3-chloro-2-hydroxypropyl) glycidyl ether
8alpha,4-(hydroxytiglinate)-8-desacyloxysubluteolide|cebelin P
(5R,6R,7R,8S,10S,1R)-8-[(1,2-dihydroxyethyl)acryloyl]-15-oxoelema-1,3,11(13)-trien-6,12-olide
3,3-Di-Me ether-3,3,4,4,7,9-Hexahydroxy-7,9-epoxylignan
8alpha-tigloyloxy-2alpha,3beta-dihydroxy-4alpha-epoxydehydrocostuslactone
9beta-hydroxy-8beta-(5-hydroxytiglinoyloxy)-preeupatudin|9beta-hydroxy-8beta-<5-hydroxytiglinoyloxy>-preeupatudin
3-oxo-4beta,15-dihydroligustrin-(4,5-dihydroxytiglate)|3-oxo-4beta,15-dihydroligustrin-<4,5-dihydroxytiglate>
(1S,5S,6R,7R,8R,9S,10S)-5-angeloyloxy-8,9-epoxy-1-hydroxy-2-oxoxantha-3,11-dien-6,12-olide
(-)-epigallocatechin pentamethyl ether|(2R)-5,7-Dimethoxy-2r-(3,4,5-trimethoxy-phenyl)-chroman-3c-ol|5,7,3,4,5-Pentamethylaether des 5-Hydroxy-(-)-epicatechins (3-Hydroxy-5,7, 3,4,5-pentamethoxy-(-)-epicatechin)|penta-O-methylepigallocatechin
15-hydroxy-16alpha-(1-methylprop-1Z-enyl)-eremanthanolide
4-Deoxy,5-hydroxy,2-epimer-1-(4-Hydroxy-3-methoxyphenyl)-2-[3-(3-hydroxy-1-propenyl)-5-methyoxyphenoxy]-1,3-propanediol
(2Z)-2-methylbut-2-enoic acid (3aR,4R,6aR,9S,9aS,9bS)-6-formyl-2,3,3a,4,6a,7,8,9,9a,9b-decahydro-9-hydroxy-9-(hydroxymethyl)-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester|8beta-(angeloyloxy)-4beta,6alpha,15-trihydroxy-14-oxoguaia-9,11(13)-dien-12-oic acid 12,6-lactone
7-Methoxy-8-[3-[1-hydroxy-1-[[(3-methylbutyryl)oxy]methyl]ethyl]oxiranyl]-2H-1-benzopyran-2-one
9-methoxy-miller-1(10)-Z-enolide|9alpha-methoxy-miller-1(10)Z-enolide
8-(2-Hydroxymethyl-2Z-butenoyl)-(1(10)E,4Z,6alpha,8alpha)-8,15-dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide
16alpha-(1-methyl-1,2-epoxypropyl)-eremanthanolide
2-(3-methoxy-4-hydroxyphenyl)-3,4-dihydroxymethyl-5-(3-methoxy-5-hydroxyphenyl)-tetrahydrofuran|laxanol
(2R)-2r-(3,4-Dimethoxy-phenyl)-3c,7,8-trimethoxy-chroman-4c-ol|2,3-cis-3,4-cis-3,7,8,3,4-pentamethoxy-flavan-4-ol|cis,cis-3,7,8,3,4-Pentamethoxy-flavan-4-ol|cis,cis-3,7,8,3,4-Pentamethoxyflavan-4-ol|Melacacidin-3-O-methylether|Melacaciolin-3-O-methylether
grazielic acid-(4-hydroxytiglate)|grazielic acid-<4-hydroxytiglate>
14-angeloyloxy-2alpha,3alpha-epoxy-1beta-hydroxydeltonorcacalol
A natural product found in Parasenecio deltophyllus.
8beta-angeloyloxy-9beta-hydroxy-guaia-11(13)-en-6(12),4(14)-diolide
(2aS,,5aS,6S,6aR,9bR,9cS)-2a,3,4,5,5a,6,6a,8,9b,9c-decahydro-6a-hydroxy-9,9c-dimethyl-2,8-dioxo-2H-naphtho[2,3-b:4,5-b,c]difuran-6-yl (2Z)-2-methylbut-2-enoate|9alpha-(angeloyloxy)-8beta-hydroxyeremophil-7(11)-ene-6alpha,15beta;8alpha,12-diolide
(3S,16R)-12,16-epoxy-3,6,11,14,17-pentahydroxy-17(15->16)-abeo-5,8,11,13-abietatetraen-7-one
1-(4-Hydroxy-3-methoxyphenyl)-2-[3-(3-hydroxy-1-propenyl)-5-methyoxyphenoxy]-1,3-propanediol
(2aR,3S,4aS,6aS,9S,11R,11aS,11bS,13aS,13bR)-decahydro-3,11-dihydroxy-2a-methyl-8-methylidene-6H-6a,9-methano-2H,12H-1,5,13-trioxacyclohepta[a]pentaleno[1,6-hi]naphthalene-6,7(8H)-dione|6,20:6,19-diepoxy-3beta,11beta-dihydroxy-15-oxo-6,7-seco-ent-kaur-16-en-1alpha,7-olide|sculponeatin S
2,2-dimethoxy-4-(3-hydroxy-1-propenyl)-4-(1,2,3-trihydroxypropyl)diphenyl ether
5-[2-(Ethoxymethyl)-3-hydroxy-5-methylphenoxy]-2,4-dihydroxy-3,6-dimethylbenzoic acid methyl ester
(4R,5S,6S,7R,8S,10R)-1-oxo-3,10-epoxy-5-hydroxy-8-angeloyloxygermacra-2,11(13)-dien-12,6-olide|rufescenolide B
(+/-)-3-methoxy-3,4-methylenedioxylignan-4,8,9,9-tetraol
3,4,4,7,8-Penta-Me ether-(2R,3S,4S)-3,3,4,4,7,8-Hexahydroxyflavan
8(2-Hydroxymethyl-2Z-butenoyl)-(1beta,2Z,4E,6alpha,8alpha,10alpha)-form-1,10-Epoxy-8,15-dihydroxy-2,4,11(13)-germacratrien-12,6-olide|Punctaliatrin
3-[[2,4-dihydroxy-6-methoxy-3-(2-methyl-1-oxopropyl)phenyl]methyl]-6-ethyl-4-hydroxy-5-methyl-2 h -pyran-2-one
1beta,10alpha-epoxy-5-hydroxy-2-oxo-8beta-tigloyloxygermacra-3Z,11(13)-dien-12,6alpha-olide
4,6-Dimethyl-7-[3-(methoxycarbonyl)-3-[(methoxycarbonyl)amino]propyl]-3H-imidazo[1,2-a]purine-9(4H)-one
8beta-(4hydroxytigloyloxy)-5-desoxy-8-desacyleuparotin|8beta-<4hydroxytigloyloxy>-5-desoxy-8-desacyleuparotin
6alpha,12,19-trihydroxy-11,14-diketo-8,12-abietadien-20,7beta-olide
3beta-angeloyloxy-8beta-hydroxyeremophil-7(11)-ene-12,8alpha(14beta,6alpha)-diolide|3??-Angeloyloxy-8??-hydroxyeremophil-7(11)-ene-12,8??(14??,6??)-diolide
1,5-epoxy-3-hydroxy-1-(4,5-dihydroxy-3-methoxyphenyl)-7-(3,4-dihydroxyphenyl)heptane
Leocarpinolide F
[2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbut-2-enoate
[3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate
[1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate
[1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 3-methylbut-2-enoate
3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzoic acid
[3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate
(2S,3S,4S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-naphthalene-2,6-diol
C20H24O7_2-Butenoic acid, 2-methyl-, (1aR,1bS,2aS,4R,4aS,7aR,8S)-dodecahydro-4-hydroxy-9a-methyl-3,7-bis(methylene)-6-oxobisoxireno[5,6:7,8]cyclodeca[1,2-b]furan-8-yl ester, (2Z)
C20H24O7_2-Butenoic acid, 2-methyl-, dodecahydro-6-hydroxy-10a-methyl-4,7-bis(methylene)-3,8-dioxooxireno[8,9]cyclodeca[1,2-b]furan-5-yl ester, (2Z)
C20H24O7_2-Propenoic acid, 2-methyl-, 2,3,3a,4,5,6,7,10,11,11a-decahydro-3-(methoxymethyl)-6-methyl-10-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester
[1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate
[2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] (Z)-2-methylbut-2-enoate
4-[4-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol
(1R,2S,4R,6R,7S,9S,11R,12S)-11-hydroxy-4-methyl-10,15-dimethylidene-14-oxo-5,8,13-trioxatetracyclo[10.3.0.0⁴,⁶.0⁷,⁹]pentadecan-2-yl (2Z)-2-methylbut-2-enoate
[1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 3-methylbut-2-enoate
(2S,3S,4S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-naphthalene-2,6-diol
bisphenol a (3-chloro-2-hydroxypropyl) g
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 5811
[1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000847459]
[2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbut-2-enoate [IIN-based on: CCMSLIB00000845091]
3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzoic acid [IIN-based: Match]
3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzoic acid [IIN-based on: CCMSLIB00000847815]
[2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbut-2-enoate [IIN-based: Match]
[3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate [IIN-based: Match]
3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzoic acid [IIN-based on: CCMSLIB00000847814]
[3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate [IIN-based on: CCMSLIB00000846855]
[1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based: Match]
4-[4-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol_major
(2S,3S,4S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-naphthalene-2,6-diol_major
(1R,2S,4R,6R,7S,9S,11R,12S)-11-hydroxy-4-methyl-10,15-dimethylidene-14-oxo-5,8,13-trioxatetracyclo[10.3.0.0⁴,⁶.0⁷,⁹]pentadecan-2-yl (2Z)-2-methylbut-2-enoate_major
(1R,2S,4R,6R,7S,9S,11R,12S)-11-hydroxy-4-methyl-10,15-dimethylidene-14-oxo-5,8,13-trioxatetracyclo[10.3.0.0⁴,⁶.0⁷,⁹]pentadecan-2-yl (2Z)-2-methylbut-2-enoate_52.9\\%
Ala Cys Pro Ser
Ala Cys Ser Pro
Ala Pro Cys Ser
Ala Pro Ser Cys
Ala Ser Cys Pro
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Cys Ala Pro Ser
Cys Ala Ser Pro
Cys Gly Pro Thr
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Cys Pro Ser Ala
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Cys Ser Pro Ala
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Cys Thr Pro Gly
Gly Cys Pro Thr
Gly Cys Thr Pro
Gly Pro Cys Thr
Gly Pro Thr Cys
Gly Thr Cys Pro
Gly Thr Pro Cys
Pro Ala Cys Ser
Pro Ala Ser Cys
Pro Cys Ala Ser
Pro Cys Gly Thr
Pro Cys Ser Ala
Pro Cys Thr Gly
Pro Gly Cys Thr
Pro Gly Thr Cys
Pro Ser Ala Cys
Pro Ser Cys Ala
Pro Thr Cys Gly
Pro Thr Gly Cys
Ser Ala Cys Pro
Ser Ala Pro Cys
Ser Cys Ala Pro
Ser Cys Pro Ala
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1,2-Anhydridoniveusin
(1E,4Z,6a,8b,10a)-8-Angeloyloxy-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide
2'-Hydroxy-3',4',5',7,8-pentamethoxyflavan
Diosbulbin A
Diosbulbin F
trans-Grandmarin isovalerate
a-Peroxyachifolide
2,3-Dihydroxy-1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-methylbutyl 3-methyl-2-butenoate
1,3-Dihydroxy-1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-methyl-2-butanyl 3-methyl-2-butenoate
1,4-Benzenedicarboxylic acid, 1,4-bis(4-amino-2-methylphenyl) ester
1,4-Benzenedicarboxylicacid, 2,5-bis[(4-methylphenyl)amino]-
1,3-bis(2,4,6-trimethylphenyl)-2-chloro-imidazolinium chloride
4-Methoxyphenyl 3-O-Benzyl-beta-D-galactopyranoside
N-[(3-chloro-4-fluorophenyl)methyl]-1-methyl-N-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide
3-Furanmethanol, tetrahydro-5-hydroxy-alpha-(4-hydroxy-3-methoxyphenyl)-4-((4-hydroxy-3-methoxyphenyl)methyl)-
4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2,6-diol
Triptolidenol
A tetracyclic diterpenoid that is isolated from Tripterygium wilfordii and exhibits anti-inflammatory properties.
[6-Ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate
1-(2,5-Dimethoxyphenyl)sulfonyl-4-(phenylmethyl)piperazine
[3,4-Dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate
[2,3-Dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbut-2-enoate
2-(4-Hydroxy-3-methoxyphenyl)-4-(alpha-hydroxy-4-hydroxy-3-methoxybenzyl)tetrahydrofuran-3-methanol
2-(Hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4,5-triol
[1,3-Dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (Z)-2-methylbut-2-enoate
(7R)-7-Hydroxylariciresinol
A lignan that consists of a tetrahudrofuran substituted by a 4-hydroxy-3-methoxyphenyl group at position 5, a hydroxymethyl group at position 4 and a hydroxy(4-hydroxy-3-methoxyphenyl)methyl group at position 3. It has been isolated from Taxus yunnanensis.
(2S)-2-hydroxy-7,8,3,4,5-pentamethoxyflavan
A methoxyflavan that consists of (2S)-flavan substituted by hydroxy group at position 2 and methoxy groups at positions 7, 8, 3, 4 and 5 . Isolated from the roots of Muntingia calabura, it exhibits anticancer activity.
2-[[5-methyl-2-(3-methylphenyl)-4-oxazolyl]methylsulfinyl]-N-(2-oxolanylmethyl)acetamide
2-Amino-7-cyclohexyl-6,8-dioxo-4,5,5a,8a-tetrahydrothieno[2,3-e]isoindole-3-carboxylic acid ethyl ester
2-[2-[Bis(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
1-Azepanyl-[2-[4-(difluoromethylthio)anilino]phenyl]methanone
2-(4-Hydroxy-3-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
3-[[2-(2-furanylmethyl)-3-oxo-1H-isoindol-1-yl]amino]benzoic acid ethyl ester
methyl (3R,5S,6R,8R,10R,11S,12S)-3-(furan-3-yl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.01,5.06,11]pentadecane-10-carboxylate
7-(benzyloxy)-N-(2-fluoro-5-hydroxy-4-methylphenyl)quinazolin-4-aminium
3-Methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzoic acid
[(1R,2S,4R,6R,7S,9S,11R,12S)-11-hydroxy-4-methyl-10,15-dimethylidene-14-oxo-5,8,13-trioxatetracyclo[10.3.0.04,6.07,9]pentadecan-2-yl] (Z)-2-methylbut-2-enoate
threo-1-(4-hydroxy-3-methoxyphenyl)-2-{4-[-(E)-3-hydroxy-1-propenyl]-2-methoxyphenoxy}-1,3-propanediol
A member of the class of propane-1,3-diols that is propane-1,3-diol substituted at position 1 by a 4-hydroxy-3-methoxyphenyl and at position 2 by a 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy group (the 1R,2R stereoisomer). It is isolated from the whole plant of Lepisorus contortus.
[1,3-Dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 2-methylbut-2-enoate
guaiacylglycerol beta-coniferyl ether
A guaiacyl lignin that is guaiacylglycerol in which the hydrogen on the 2-hydroxy function has been replaced by a beta-coniferyl group.
methyl 8,11-dihydroxy-2,6,9,15-tetramethyl-3,14-dioxo-13-oxatetracyclo[10.2.1.0²,¹⁰.0⁵,⁹]pentadeca-4,6-diene-8-carboxylate
(3ar,4r,6s,11as)-6-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylidene-2,9-dioxo-3ah,4h,5h,11ah-cyclodeca[b]furan-4-yl (2z)-2-methylbut-2-enoate
8-(4-hydroxy-6-methoxy-1-oxo-3h-2-benzofuran-5-yl)-4-methoxy-2,6-dimethylocta-2,6-dienoic acid
(3as,4s,5r,6ar,7r,9ar,9br)-5,7-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl (2e)-2-(hydroxymethyl)but-2-enoate
(1s,2s,3s,7r,9r,13r)-13-hydroxy-9,13-dimethyl-4-methylidene-5,12-dioxo-6,14-dioxatricyclo[8.3.1.0³,⁷]tetradec-10-en-2-yl (2e)-2-methylbut-2-enoate
(3ar,4r,11ar)-4-{[(2e)-4-hydroxy-2-methylbut-2-enoyl]oxy}-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylic acid
4-methyl-2-[(2-methylbut-2-enoyl)oxy]-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-ene-9-carboxylic acid
3-hydroxy-2-methyl-7,11-dimethylidene-6-oxo-5,13,15-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadecan-9-yl (2z)-2-methylbut-2-enoate
4-[(2r,3s,4r)-4-[(s)-hydroxy(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol
4-[(4-hydroxy-2-methylbut-2-enoyl)oxy]-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylic acid
(2r,4s,8s,9s,10r,11r)-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2z)-2-methylbut-2-enoate
(3ar,4r,6s,6ar,9ar,9br)-9-methyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3ah-spiro[azuleno[4,5-b]furan-6,2'-oxiran]-4-yl (2e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
(2e,4s,6e)-8-(4-hydroxy-6-methoxy-1-oxo-3h-2-benzofuran-5-yl)-4-methoxy-2,6-dimethylocta-2,6-dienoic acid
(3s,9r,11br)-3,5,7,11-tetrahydroxy-9-(hydroxymethyl)-4,4,11b-trimethyl-1h,2h,3h,8h,9h-phenanthro[3,2-b]furan-6-one
methyl (2r)-2-[(1s,6r,9r,12s,14r,16r)-14-hydroxy-1,12-dimethyl-4,11-dioxo-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,7-dien-6-yl]propanoate
5,7-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-(hydroxymethyl)but-2-enoate
(1s,2r)-1-(4-hydroxy-3-methoxyphenyl)-2-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}propane-1,3-diol
[11-(acetyloxy)-4,9-dimethyl-14-oxo-3,15-dioxatricyclo[10.3.0.0²,⁴]pentadeca-7,8,12-trien-13-yl]methyl acetate
(1r,2s,3r,4s,8s,9r,10s,12s)-3-hydroxy-2-methyl-7,11-dimethylidene-6-oxo-5,13,15-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadecan-9-yl (2z)-2-methylbut-2-enoate
8-hydroxy-7-(2-hydroxypropan-2-yl)-1-methyl-3,6,10,16-tetraoxaheptacyclo[11.7.0.0²,⁴.0²,⁹.0⁵,⁷.0⁹,¹¹.0¹⁴,¹⁸]icos-14(18)-en-17-one
(1r,2r,4s,6r,7z,9z,11r)-9-(hydroxymethyl)-4-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-7,9-dien-2-yl (2z)-2-(hydroxymethyl)but-2-enoate
2-(hydroxymethyl)-6-{4-[2-(3-hydroxyphenyl)ethyl]phenoxy}oxane-3,4,5-triol
2-hydroxy-2-[3-(7-methoxy-2-oxochromen-8-yl)oxiran-2-yl]propyl 3-methylbutanoate
(1r,2s,6r,7s,8r,9r)-7-methyl-5,12-dimethylidene-7-[(2r)-oxiran-2-yl]-4,11-dioxo-3,10-dioxatricyclo[7.3.0.0²,⁶]dodecan-8-yl 3-methylbutanoate
(1s,2s,3r,5s,8s,11s,14r,15r,17r,20s)-3,15-dihydroxy-14-methyl-6-methylidene-10,16,18-trioxahexacyclo[12.5.1.1⁵,⁸.0¹,¹¹.0²,⁸.0¹⁷,²⁰]henicosane-7,9-dione
(2z,4r,8r,9r,11r)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2r)-2-methylbutanoate
(1's,2s,2's,6'r,7's,10's,11'r,12's,14'r)-11'-hydroxy-14'-methyl-5'-methylidene-4'-oxo-3',13'-dioxaspiro[oxirane-2,9'-tetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan]-7'-yl (2z)-2-methylbut-2-enoate
(1r,2r,4r,5r,9s,10s,11s,13r,14s)-2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,15-trioxapentacyclo[8.5.0.0¹,¹⁴.0⁵,⁹.0¹¹,¹³]pentadecan-4-yl (2e)-2-methylbut-2-enoate
(1r,2z,4r,8r,9r,11r)-1-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-2-en-9-yl (2e)-2-methylbut-2-enoate
7-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 4-hydroxy-2-(hydroxymethyl)but-2-enoate
(1r,2s,3r,6s,7r,8s,11s)-3-ethenyl-13-(2-methoxy-2-oxoethyl)-3,7-dimethyl-10-oxo-9,14-dioxatetracyclo[6.5.1.0¹,⁶.0⁷,¹¹]tetradec-12-ene-2-carboxylic acid
(1s,3r,5r,6s,10r,11s,14r)-14-methoxy-3-methyl-9-methylidene-8-oxo-4,7,15-trioxatetracyclo[11.2.1.0³,⁵.0⁶,¹⁰]hexadec-13(16)-en-11-yl 2-methylprop-2-enoate
4-{4-[hydroxy(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2-methoxyphenol
4-[(2s,3s,4r,5s)-5-(4-hydroxy-3-methoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol
(1r,2r)-2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl (2z)-2-methylbut-2-enoate
(3as,4s,5s,6r,6as,7r,9ar,9br)-5,7-dihydroxy-9-methyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3ah-spiro[azuleno[4,5-b]furan-6,2'-oxiran]-4-yl (2e)-2-methylbut-2-enoate
(1s,2r,4s,5r,9s,10s,11r)-2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.0¹,¹⁰.0⁵,⁹]pentadec-14-en-4-yl (2e)-2-methylbut-2-enoate
4-[(2s,3s,4r,5r)-5-(4-hydroxy-3-methoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol
(1s,4s,8s,10s,12r)-8-[(3s,4r,5s)-5-(furan-3-yl)-4-hydroxy-2-oxooxolan-3-yl]-10,12-dimethyl-2,9-dioxatricyclo[6.3.1.0⁴,¹²]dodecan-3-one
2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-3-ol
(1r,2s,3s,7s,8s,9r,10r,13s)-9-hydroxy-13-methyl-6-methylidene-5,11-dioxo-4,12-dioxatetracyclo[8.5.0.0²,¹³.0³,⁷]pentadecan-8-yl (2z)-2-methylbut-2-enoate
(1s,2s,3r,5s,8s,11s,13s,14r,17s,20r)-3,13-dihydroxy-14-methyl-6-methylidene-10,16,18-trioxahexacyclo[12.5.1.1⁵,⁸.0¹,¹¹.0²,⁸.0¹⁷,²⁰]henicosane-7,9-dione
(1s,2s,4s,7r,9s,12s,13s,16s)-4-(furan-3-yl)-12,13-dihydroxy-2,16-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadecane-6,11-dione
(1s,2s,4s,5s,7r,8r,9s,11s,13s)-8-hydroxy-7-[(2s)-1-hydroxypropan-2-yl]-1-methyl-3,6,10,16-tetraoxaheptacyclo[11.7.0.0²,⁴.0²,⁹.0⁵,⁷.0⁹,¹¹.0¹⁴,¹⁸]icos-14(18)-en-17-one
(1r,2s)-2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl (2z)-2-methylbut-2-enoate
(2z,4r,8s,9s,10r,11r)-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl 3-methylbutanoate
(1s,2r,4s,5s,6r,7z,10z,13s,14s)-5,6-dihydroxy-7,11-dimethyl-4-(prop-1-en-2-yl)-15,17,18-trioxatetracyclo[11.2.2.1²,⁶.0¹,¹⁴]octadeca-7,10-diene-9,16-dione
methyl 5-hydroxy-10-methyl-3-methylidene-4-[(2-methylprop-2-enoyl)oxy]-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylate
1-(4-hydroxy-3-methoxyphenyl)-2-[2-(3-hydroxyprop-1-en-1-yl)-3-methoxyphenoxy]propane-1,3-diol
methyl (3as,4s,5s,11ar)-5-hydroxy-10-methyl-3-methylidene-4-[(2-methylprop-2-enoyl)oxy]-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylate
(1r,7s,8r,9r)-9-[(1e,3e)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0¹,⁷]tridec-3-ene-4-carboxylic acid
4-[(2s,3r,4r,5r)-5-(4-hydroxy-3-methoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol
16-hydroxy-l-tryptophan
{"Ingredient_id": "HBIN001916","Ingredient_name": "16-hydroxy-l-tryptophan","Alias": "NA","Ingredient_formula": "C20H24O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31286","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
16-hydroxytriptolide
{"Ingredient_id": "HBIN001921","Ingredient_name": "16-hydroxytriptolide","Alias": "SCHEMBL14097792","Ingredient_formula": "C20H24O7","Ingredient_Smile": "CC(CO)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2O)O7)COC6=O)C","Ingredient_weight": "376.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15923","TCMID_id": "10813","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "9821023","DrugBank_id": "NA"}
2-epitripdiolide
{"Ingredient_id": "HBIN005586","Ingredient_name": "2-epitripdiolide","Alias": "NA","Ingredient_formula": "C20H24O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15272","TCMID_id": "7028","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3β-angeloyloxy-8β-hydroxyeremophil-7(11)-ene-12,8α(14β,6α)-diolide
{"Ingredient_id": "HBIN008188","Ingredient_name": "3\u03b2-angeloyloxy-8\u03b2-hydroxyeremophil-7(11)-ene-12,8\u03b1(14\u03b2,6\u03b1)-diolide","Alias": "NA","Ingredient_formula": "C20H24O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1226","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3'-isobutyryloxy-o-acetyl-2',3'-dihyero-oroselol
{"Ingredient_id": "HBIN008765","Ingredient_name": "3'-isobutyryloxy-o-acetyl-2',3'-dihyero-oroselol","Alias": "NA","Ingredient_formula": "C20H24O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31333","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(7'r)-7'-hydroxylariciresinol
{"Ingredient_id": "HBIN013451","Ingredient_name": "(7'r)-7'-hydroxylariciresinol","Alias": "NA","Ingredient_formula": "C20H24O7","Ingredient_Smile": "COC1=C(C=CC(=C1)C2C(C(CO2)C(C3=CC(=C(C=C3)O)OC)O)CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10313","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-prenylated coumarin microfalcatin isovalerate
{"Ingredient_id": "HBIN013879","Ingredient_name": "8-prenylated coumarin microfalcatin isovalerate","Alias": "NA","Ingredient_formula": "C20H24O7","Ingredient_Smile": "CC(C)CC(=O)OCC(=C)C(C(C1=C(C=CC2=C1OC(=O)C=C2)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "17810","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
ailanthone
{"Ingredient_id": "HBIN014942","Ingredient_name": "ailanthone","Alias": "NA","Ingredient_formula": "C20H24O7","Ingredient_Smile": "CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(=C)C4CC(=O)O3)O)(OC5)O)C)O","Ingredient_weight": "376.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "777","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "138113832","DrugBank_id": "NA"}
angelol
{"Ingredient_id": "HBIN016099","Ingredient_name": "angelol","Alias": "ZINC33832097; 83199-38-6; Angelol G; SCHEMBL16633739","Ingredient_formula": "C20H24O7","Ingredient_Smile": "CC=C(C)C(=O)OC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O","Ingredient_weight": "376.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14301","TCMID_id": "1197","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10362168","DrugBank_id": "NA"}
angelol h
{"Ingredient_id": "HBIN016107","Ingredient_name": "angelol h","Alias": "NA","Ingredient_formula": "C20H24O7","Ingredient_Smile": "CC=C(C)C(=O)OC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O","Ingredient_weight": "376.4","OB_score": "NA","CAS_id": "83247-73-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6778","PubChem_id": "44144314","DrugBank_id": "NA"}