Exact Mass: 330.1593
Exact Mass Matches: 330.1593
Found 500 metabolites which its exact mass value is equals to given mass value 330.1593
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Picrocrocin
Picrocrocin is a glycoside formed from glucose and safranal. It is found in the spice saffron, which comes from the crocus flower. Picrocrocin has a bitter taste and is the chemical most responsible for the taste of saffron. It is believed that picrocrocin is a degradation product of the carotenoid zeaxanthin (Wikipedia). Picrocrocin is a beta-D-glucoside of beta-cyclocitral; the precursor of safranal. It is the compound most responsible for the bitter taste of saffron. It is functionally related to a beta-cyclocitral. Picrocrocin is a natural product found in Crocus tommasinianus, Crocus sativus, and Crocus vernus with data available. Isolated from saffron (stamens of Crocus sativus). Food colour and flavouring ingredient Picrocrocin, an apocarotenoid found in Saffron. Picrocrocin shows anticancer effect. Picrocrocin exhibits growth inhibitory effects against SKMEL-2 human malignant melanoma cells[1]. Picrocrocin, an apocarotenoid found in Saffron. Picrocrocin shows anticancer effect. Picrocrocin exhibits growth inhibitory effects against SKMEL-2 human malignant melanoma cells[1].
Proparacaine Hydrochloride
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Portuloside A
Portuloside A is found in green vegetables. Portuloside A is a constituent of Portulaca oleracea (purslane) Constituent of Portulaca oleracea (purslane). Portuloside A is found in green vegetables.
(1S,4R)-10-Hydroxyfenchone glucoside
(1S,4R)-10-Hydroxyfenchone glucoside is found in herbs and spices. (1S,4R)-10-Hydroxyfenchone glucoside is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). (1S,4R)-10-Hydroxyfenchone glucoside is found in herbs and spices.
Epijasminoside A
Epijasminoside A is a constituent of Saffron (Crocus sativus). Constituent of Saffron (Crocus sativus).
(1R,4R,5S)-5-Hydroxyfenchone glucoside
(1R,4R,5S)-5-Hydroxyfenchone glucoside is found in herbs and spices. (1R,4R,5S)-5-Hydroxyfenchone glucoside is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). (1R,4R,5S)-5-Hydroxyfenchone glucoside is found in herbs and spices.
6-Hydroxy-2-bornanone glucoside
6-Hydroxy-2-bornanone glucoside is found in herbs and spices. 6-Hydroxy-2-bornanone glucoside is a constituent of Foeniculum vulgare (fennel) Constituent of Foeniculum vulgare (fennel). 6-Hydroxy-2-bornanone glucoside is found in herbs and spices.
(4S,6R)-p-Mentha-1,8-diene-6,7-diol 7-glucoside
(4S,6R)-p-Mentha-1,8-diene-6,7-diol 7-glucoside is found in herbs and spices. (4S,6R)-p-Mentha-1,8-diene-6,7-diol 7-glucoside is a constituent of fruit of Carum carvi (caraway). Constituent of fruit of Carum carvi (caraway). (4S,6R)-p-Mentha-1,8-diene-6,7-diol 7-glucoside is found in herbs and spices.
(3b,4b,5b)-4,5-Epoxy-p-menth-1-en-3-ol 3-glucoside
(3b,4b,5b)-4,5-Epoxy-p-menth-1-en-3-ol 3-glucoside is a constituent of Carum ajowan (ajowan). Constituent of Carum ajowan (ajowan)
(1R,4S,6R)-6-Hydroxyfenchone glucoside
(1R,4S,6R)-6-Hydroxyfenchone glucoside is found in herbs and spices. (1R,4S,6R)-6-Hydroxyfenchone glucoside is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). (1R,4S,6R)-6-Hydroxyfenchone glucoside is found in herbs and spices.
Clomipramine N-oxide
Clomipramine N-oxide is a metabolite of clomipramine. Clomipramine (trademarked as Anafranil) is a tricyclic antidepressant (TCA). It was developed in the 1960s by the Swiss drug manufacturer Geigy (now known as Novartis) and has been in clinical use worldwide ever since. (Wikipedia)
Hydroxyclomipramine
A class of glycerophospholipid in which a phosphorylethanolamine moiety occupies a glycerol substitution site. As is the case with diacylglycerols, glycerophosphocholines can have many different combinations of fatty acids of varying lengths and saturation attached at the SN-1 and SN-2 positions. fatty acids containing 16, 18 and 20 carbons are the most common. (LipidMAPS) Hydroxyclomipramine is a metabolite of clomipramine. Clomipramine (trademarked as Anafranil) is a tricyclic antidepressant (TCA). It was developed in the 1960s by the Swiss drug manufacturer Geigy (now known as Novartis) and has been in clinical use worldwide ever since. (Wikipedia)
2-Hydroxyclomipramine
2-Hydroxyclomipramine is a metabolite of clomipramine. Clomipramine (trademarked as Anafranil) is a tricyclic antidepressant (TCA). It was developed in the 1960s by the Swiss drug manufacturer Geigy (now known as Novartis) and has been in clinical use worldwide ever since. (Wikipedia)
8-Hydroxyclomipramine
8-Hydroxyclomipramine is a metabolite of clomipramine. Clomipramine (trademarked as Anafranil) is a tricyclic antidepressant (TCA). It was developed in the 1960s by the Swiss drug manufacturer Geigy (now known as Novartis) and has been in clinical use worldwide ever since. (Wikipedia)
4-({4-[(2,4,6-Trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile
Pirsidomine
1,1,5-Trimethyl-2-hydroxymethyl-(5)-cyclohexene-(4)-one-O-beta-D-glucopyranoside
4-decyl-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid
(1R,4R,5R)-5-hydroxybornan-2-one 5-O-beta-D-glucopyranoside
(6R)-menthiafolic acid 6-O-beta-D-quinovoside|(6R)-menthiafolic acid-6-O-beta-D-quinovoside|menthiafolic acid 6-O-beta-D-quinovopyranoside
1-O-beta-D-Glucopyranoside-1-Hydroxy-3,7-dimethyl-2,6-octadien-5-one|3,7-dimethyl-2(E),6-octadien-5-one-1-O-beta-D-glucoside
3,7-dimethyl-3(Z),6-octadien-5-one-1-O-beta-D-glucoside
beta-D-glucopyranosyl 2,6,6-trimethylcyclohex-1-ene-1-carboxylate|jasminoside K
3-(beta-D-Glucopyranosyloxymethyl)-2,4,4-trimethyl-2-cyclohexen-1-one|jasminoside E
(-)-Borneol glucuronide|O1-((1S)-bornyl)-beta-D-glucopyranuronic acid|O1-((1S)-Bornyl)-beta-D-glucopyranuronsaeure
8-hydroxy-alpha-thujone-(beta-D-glucopyranoside)|8-hydroxy-alpha-thujone-|8-O-beta-Glucopyranoside-8-Hyddroxy-3-thujanone
1-Aldehyde,8-O-beta-D-glucopyranoside-(E)-2-Methyl-6-methylene-2-octene-1,8-diol
(Z)-3,6-dimethyl-3-(beta-D-glucosylmethyl)cyclohept-4-enone
3-(methacryloyloxy)furanoeremophilan-15,6alpha-olide
(7S,8S,7S,8S)-3,3,4-Trihydroxy-4-methoxy-7,7-epoxylignan
Lathanol
Sodium lauryl sulfoacetate is a wetting agent and surfactant used in enema-type laxative products.
Cinchonine HCl
3-(4-hydroxy-3-methoxyphenyl)propyl 3-(4-hydroxyphenyl)propanoate
7-(3,4-dihydroxyphenyl)-5-hydroxy-1-(4-hydroxyphenyl)heptan-3-one
C19H22O5_(1R,2S,3S,4S,7R,10R,13R,17R)-17-Hydroxy-4-methyl-14-methylene-5-oxo-6-oxapentacyclo[11.2.1.1~4,7~.0~1,10~.0~3,9~]heptadec-8-ene-2-carboxylic acid
C16H26O7_(2,6,6-Trimethyl-4-oxo-2-cyclohexen-1-yl)methyl beta-D-glucopyranoside
gibberellin A7
A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and development in plants. Initially identified in Gibberella fujikuroi, it differs from gibberellin A1 in lacking the OH at C-7 (gibbane numbering). Gibberellin A7 (GA7) is a plant hormone. Gibberellin A7 is the metabolite of Gibberella fujikuroi. Gibberellin A7 promotes the plant growth and elongation of cells[1].
C19H22O5_(3aR,4aR,7aR,8R,9aR)-4a,8-Dimethyl-3-methylene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl methacrylate
C19H22O5_Spiro[furan-3(2H),1(7H)-naphthalene]-2,7-dione, 5-(3-furanyl)-2,3,4,4,4a,5,8,8a-octahydro-4a-hydroxy-2,5-dimethyl
5-(furan-3-yl)-4a-hydroxy-4,7-dimethylspiro[5,6,7,8a-tetrahydro-1H-naphthalene-8,3-oxolane]-2,2-dione
3-Heptanone, 7-(3,4-dihydroxyphenyl)-5-hydroxy-1-(4-hydroxyphenyl)-
1,7-bis(3,4-dihydroxyphenyl)heptan-3-one
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3-(4-hydroxy-3-methoxyphenyl)propyl 3-(4-hydroxyphenyl)propanoate
7-(3,4-dihydroxyphenyl)-5-hydroxy-1-(4-hydroxyphenyl)heptan-3-one [IIN-based: Match]
7-(3,4-dihydroxyphenyl)-5-hydroxy-1-(4-hydroxyphenyl)heptan-3-one [IIN-based on: CCMSLIB00000847711]
3-(4-hydroxy-3-methoxyphenyl)propyl 3-(4-hydroxyphenyl)propanoate [IIN-based: Match]
3-(4-hydroxy-3-methoxyphenyl)propyl 3-(4-hydroxyphenyl)propanoate [IIN-based on: CCMSLIB00000845015]
3-(4-hydroxy-3-methoxyphenyl)propyl 3-(4-hydroxyphenyl)propanoate_major
3-(4-hydroxy-3-methoxyphenyl)propyl 3-(4-hydroxyphenyl)propanoate_minor
Ala Gly Pro Ser
Ala Gly Ser Pro
Ala Pro Gly Ser
Ala Pro Ser Gly
Ala Ser Gly Pro
Ala Ser Pro Gly
Gly Ala Pro Ser
Gly Ala Ser Pro
Gly Gly Pro Thr
Gly Gly Thr Pro
Gly Pro Ala Ser
Gly Pro Gly Thr
Gly Pro Ser Ala
Gly Pro Thr Gly
Gly Ser Ala Pro
Gly Ser Pro Ala
Gly Thr Gly Pro
Gly Thr Pro Gly
Pro Ala Gly Ser
Pro Ala Ser Gly
Pro Gly Ala Ser
Pro Gly Gly Thr
Pro Gly Ser Ala
Pro Gly Thr Gly
Pro Ser Ala Gly
Pro Ser Gly Ala
Pro Thr Gly Gly
Ser Ala Gly Pro
Ser Ala Pro Gly
Ser Gly Ala Pro
Ser Gly Pro Ala
Ser Pro Ala Gly
Ser Pro Gly Ala
Thr Gly Gly Pro
Thr Gly Pro Gly
Thr Pro Gly Gly
methyl (E)-4-((3aS)-6-methoxy-1-methyl-5-oxo-2,3,5,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl)-2-methylbut-2-enoate
Epijasminoside A
(1R,4R,5S)-5-Hydroxyfenchone glucoside
(1R,4S,6R)-6-Hydroxyfenchone glucoside
(1S,4R)-10-Hydroxyfenchone glucoside
Fragransol B
6-Hydroxy-2-bornanone glucoside
Gibberellin A62
Hericenone A
(3b,4b,5b)-4,5-Epoxy-p-menth-1-en-3-ol 3-glucoside
(4S,6R)-p-Mentha-1,8-diene-6,7-diol 7-glucoside
Gibberellin A88
Gibberellin A95
5-(furan-3-yl)-4a-hydroxy-2,5-dimethyl-2,3,4,4,4a,5,8,8a-octahydro-2H,7H-spiro[furan-3,1-naphthalene]-2,7-dione
(((4-(Prop-1-en-2-yl)-1,3-phenylene)bis(oxy))bis(methylene))dibenzene
Ethyl 4-acetoxy-8-isopropyl-6-methoxy-2-naphthoate
Ethyl 4-acetoxy-6-isopropyl-8-methoxy-2-naphthoate
Ethyl 4-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-2-naphthoate
(5R)-2-Isopropyl-5-methylcyclohexyl (2S,5R)-5-acetoxy-1,3-oxathio lane-2-carboxylate
1-BOC-3-(4-TRIFLUOROMETHYL-PHENYLAMINO)-PYRROLIDINE
1-BOC-3-([(3-TRIFLUOROMETHYL-PHENYL)-AMINO]-METHYL)-AZETIDINE
1-BOC-3-([(4-TRIFLUOROMETHYL-PHENYL)-AMINO]-METHYL)-AZETIDINE
4-(2-Ethoxybenzamido)-1-methyl-3-n-propylpyrazole-5-carboxamide
3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)vinyl]benzoxazolium chloride
TERT-BUTYL 4-(1,3-DIOXOISOINDOLIN-2-YL)PIPERIDINE-1-CARBOXYLATE
n-(tert-butoxycarbonyl)-3-(4-(1-pyrrolyl)phenyl)-l-alanine
2,5,7,10-Tetraoxa-6-silaundecane,6-(2-methoxyethoxy)-6-phenyl-
1-BOC-3-([(2-TRIFLUOROMETHYL-PHENYL)-AMINO]-METHYL)-AZETIDINE
2-hydroxyethyl 2-methylprop-2-enoate,2-methylidenebutanoic acid,methyl 2-methylprop-2-enoate
Diethyl (4-isopropyl-3,5-dimethoxybenzyl)phosphonate
1-[[2-[(2-AMinophenyl)aMino]-5-Methyl-3-thienyl]carbonyl]-4-Methyl-piperazine
1-fluoro-2-methyl-benzene; 1-fluoro-3-methyl-benzene; 1-fluoro-4-methyl-benzene
(S)-3-(4-aminonaphthalen-1-yl)-2-((tert-butoxycarbonyl)amino)propanoic acid
2-[(3S)-1-Azabicyclo[2.2.2]oct-3-yl] 2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-1-one hydrochloride
Propoxycaine hydrochloride
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N-[4-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide
2-[(3-Methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxy]acetic acid propan-2-yl ester
7-(3,4-Dihydroxyphenyl)-5-hydroxy-1-(4-hydroxyphenyl)heptan-3-one
N-(1-propyl-1H-1,3-benzodiazol-2-yl)quinoline-2-carboxamide
3-Amino-3-benzyl-[4.3.0]bicyclo-1,6-diazanonan-2-one
3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-ol
14-Hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylic acid
12-Hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-2-ene-9-carboxylic acid
(S)-reticulinium(1+)
An ammonium ion that is the conjugate acid of (S)-reticuline, arising from protonation of the tertiary amino group; major species at pH 7.3.
(R)-reticulinium(1+)
The conjugate acid of (R)-reticuline; major species at pH 7.3.
4-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-2-methoxyphenol
(1R,2R,5S,8S,9S,10R,11S)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylic acid
1-(3,4-Dimethoxy-2-methylphenyl)-2-(3,4-dimethoxyphenyl)ethanone
1-Ethyl-3-[[[2-(2-methylpropyl)-4-quinolinyl]-oxomethyl]amino]thiourea
2-[[[(1-Ethyl-3,5-dimethyl-4-pyrazolyl)methylamino]-oxomethyl]amino]benzoic acid methyl ester
1-[5-[3-(Dimethylamino)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
N-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide
1-[4-[4-(Dimethylamino)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
1-[[3-(4-Chlorophenoxy)phenyl]methyl]-4-ethylpiperazine
2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-9-yl)oxy]acetic acid butyl ester
1-[(5,7-Dimethyl-3-pyrazolo[1,5-a]pyrimidinyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester
1-[4-[(E)-2-(4-methoxyphenyl)ethenyl]pyridin-1-ium-1-yl]-2-phenylethanone
1-(3,4-Dihydroxybenzyl)-2,2-dimethyl-6-methoxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-ium
N-[(3R,8Z,11R)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide
2,6-Dimethyl-4-(2-pyridinyl)-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
6-(1-Hydroxy-2-methylbut-3-en-2-yl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrouro[3,2-g]chromen-7-one
3-Hydroxy-2-(2-hydroxypropan-2-yl)-6-(2-methylbut-3-en-2-yl)-2,3-dihydrouro[3,2-g]chromen-7-one
(1R,3R,6S,7E,10S,12R)-17-hydroxy-3,10,12-trimethyl-16-oxatricyclo[12.2.1.01,6]heptadeca-4,7,14(17)-triene-9,13,15-trione
(2R,4S,6E,8E,10E)-1-(4-hydroxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-6,8,10-triene-1,5-dione
1,1-Cyclopentanediacetic acid bis(trimethylsilyl) ester
Picrocrocin
Picrocrocin is a beta-D-glucoside of beta-cyclocitral; the precursor of safranal. It is the compound most responsible for the bitter taste of saffron. It is functionally related to a beta-cyclocitral. Picrocrocin is a natural product found in Crocus tommasinianus, Crocus sativus, and Crocus vernus with data available. Picrocrocin, an apocarotenoid found in Saffron. Picrocrocin shows anticancer effect. Picrocrocin exhibits growth inhibitory effects against SKMEL-2 human malignant melanoma cells[1]. Picrocrocin, an apocarotenoid found in Saffron. Picrocrocin shows anticancer effect. Picrocrocin exhibits growth inhibitory effects against SKMEL-2 human malignant melanoma cells[1].
2,3,4,5-tetranor-prostaglandin FM
A prostanoid that is prostaglandin E2-UM in which the oxo group at position 9 has been reduced to the corresponding alcohol (alpha-configuration).
2,5-dihydroxy-6-[(1z)-2-(6-methyl-3,6-dihydro-1,2-dioxin-3-yl)ethenyl]-3-(3-methylbut-2-en-1-yl)benzaldehyde
7-[(5,6-dihydroxy-3,7-dimethylocta-2,7-dien-1-yl)oxy]chromen-2-one
[2-methoxy-3-(3-methylbut-2-en-1-yl)-4-oxochromen-5-yl]methyl propanoate
5-methyl-2-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-1-en-2-yl)cyclohexan-1-one
7-[(7-hydroxy-3,7-dimethyl-6-oxooct-2-en-1-yl)oxy]chromen-2-one
(1e,3e)-3,7-dimethyl-5-oxoocta-1,3,6-trien-1-yl 3,4-dimethoxybenzoate
(2e,6r)-2,6-dimethyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}octa-2,7-dienoic acid
(5s)-2,4,4-trimethyl-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one
7a-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methyl-3a-(prop-2-en-1-yl)-3,4-dihydro-2h-1-benzofuran-7-one
(1r,2r,4s,8r,10r,13r,16r)-11-methyl-4-(prop-1-en-2-yl)-14,17-dioxapentacyclo[8.5.1.1⁸,¹¹.0²,⁸.0¹³,¹⁶]heptadecane-6,9,15-trione
1-[2-methoxy-3-(3-methylbut-2-en-1-yl)-4-oxochromen-5-yl]ethyl acetate
(2e)-3-(4-hydroxyphenyl)-n-{4-[(3r)-3-methyl-2,5-dioxopyrrolidin-1-yl]butyl}prop-2-enimidic acid
(11r)-2-methoxy-11-methyl-11-(4-methyl-2-oxopent-3-en-1-yl)-5,10-dioxatricyclo[7.4.0.0³,⁷]trideca-1,3(7),8-trien-6-one
(1r,4r,5r)-1,7,7-trimethyl-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}bicyclo[2.2.1]heptan-2-one
4-hydroxy-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl 2-methylprop-2-enoate
(1s,4r,10s,11r,13s,16s)-11-hydroxy-11-methyl-4-(prop-1-en-2-yl)-14-oxatetracyclo[8.5.1.0²,⁸.0¹³,¹⁶]hexadec-2(8)-ene-6,9,15-trione
(1s,4s,5r,6s,7s,8r)-6-(2h-1,3-benzodioxol-5-yl)-4,8-dihydroxy-7-methyl-1-(prop-2-en-1-yl)bicyclo[3.2.1]octan-3-one
(2r,3s,4r,5r,6s)-6-{[(4as,7r,7ar)-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]oxy}-2-(hydroxymethyl)-3-methyloxane-3,4,5-triol
(1s,2r,5s,8r,9s,10r,11s)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid
(5s)-7-(3,4-dihydroxyphenyl)-5-hydroxy-1-(4-hydroxyphenyl)heptan-3-one
(6r)-6-{[(2s,4s,5s,6r)-4,5-dihydroxy-6-[(1e)-2-phenylethenyl]oxan-2-yl]methyl}-5,6-dihydropyran-2-one
(2r,3s,3ar,7as)-7a-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methyl-3a-(prop-2-en-1-yl)-3,4-dihydro-2h-1-benzofuran-7-one
1-[6-methoxy-3-oxo-2-(propan-2-ylidene)-1-benzofuran-5-yl]ethyl 3-methylbut-2-enoate
(4s)-2,6,6-trimethyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-ene-1-carbaldehyde
(2e,5s)-5-methyl-2-(1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-ylidene)cyclohexan-1-one
2-({4,7-dimethyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,2s,6s,11r,12r,14s)-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-9-en-11-yl 2-methylprop-2-enoate
2,5-dihydroxy-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)-2h,3h-pyrano[3,2-g]chromen-4-one
5-[(1s,2r)-2,3-dihydroxy-1-methoxypropyl]-3'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,4'-diol
(2s)-2-(2-hydroxypropan-2-yl)-6-{2-[(2s)-oxiran-2-yl]propan-2-yl}-2h,3h-furo[3,2-g]chromen-7-one
8-hydroxy-6-isopropyl-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,6,13-triene-4,11-dione
4-[(2s,3s,4s,5s)-5-(3-hydroxy-4-methoxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol
13-hydroxy-4-methyl-14-methylidene-5-oxo-6-oxapentacyclo[11.2.1.1⁴,⁷.0¹,¹⁰.0³,⁹]heptadec-8-ene-2-carboxylic acid
(2s)-2,5-dihydroxy-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)-2h,3h-pyrano[3,2-g]chromen-4-one
(4s,4ar,5r,6s)-6-hydroxy-3,4a,5-trimethyl-9-oxo-4h,5h,6h,7h-naphtho[2,3-b]furan-4-yl 2-methylprop-2-enoate
(1s,2s,5r,6s)-6-[(1e)-2-carboxy-2-(hydroxymethyl)eth-1-en-1-yl]-2-hydroxy-5-isopropyl-2-(methoxymethyl)cyclohexane-1-carboxylic acid
(2s)-2-(2,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2h-1-benzopyran
9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-9-en-11-yl 2-methylprop-2-enoate
5-({8,8-dimethyl-2-oxo-3ah,4h,5h,6h,7h,8bh-indeno[1,2-b]furan-3-ylidene}methoxy)-3-methyl-5h-furan-2-one
(1z,3r,4r,6r,8r,11r,13r,15r)-13-hydroxy-6-methyl-16-oxatetracyclo[13.2.2.0³,¹¹.0⁴,⁸]nonadeca-1,9-diene-7,17,18-trione
[(3r,3ar,7as)-3-hydroxy-3-methyl-3a,4,5,7a-tetrahydro-2h-1-benzofuran-6-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
(1s,2s,5r,7r,8s,9s,10r,11r,14r)-14-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxahexacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁷.0²,⁸]heptadecane-9-carboxylic acid
12-epi-methyl-barbascoate
{"Ingredient_id": "HBIN000844","Ingredient_name": "12-epi-methyl-barbascoate","Alias": "NA","Ingredient_formula": "C19H22O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6966","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,4s,6s)-6-hydroxycamphor β-d-glucopyrano-side
{"Ingredient_id": "HBIN003144","Ingredient_name": "(1r,4s,6s)-6-hydroxycamphor \u03b2-d-glucopyrano-side","Alias": "NA","Ingredient_formula": "C16H26O7","Ingredient_Smile": "CC1(C2CC(C1(C(=O)C2)C)OC3C(C(C(C(O3)CO)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9880","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,4r,6s)-6-hydroxycamphorβ-d-glucopyrano-side
{"Ingredient_id": "HBIN003283","Ingredient_name": "(1s,4r,6s)-6-hydroxycamphor\u03b2-d-glucopyrano-side","Alias": "NA","Ingredient_formula": "C16H26O7","Ingredient_Smile": "CC1(C2CC(C1(C(=O)C2)C)OC3C(C(C(C(O3)CO)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9879","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3β-hydroxy-p-menth-1-en-4β,5β-oxide 3-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN008257","Ingredient_name": "3\u03b2-hydroxy-p-menth-1-en-4\u03b2,5\u03b2-oxide 3-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H26O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10377","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-hydroxy-4-(3,7-dimethyl-5-oxo-2,6-octa-dienyl)-5-methoxy-benzo[1,2-c]furan-2-one
{"Ingredient_id": "HBIN008652","Ingredient_name": "3-hydroxy-4-(3,7-dimethyl-5-oxo-2,6-octa-dienyl)-5-methoxy-benzo[1,2-c]furan-2-one","Alias": "NA","Ingredient_formula": "C19H22O5","Ingredient_Smile": "CC(=CC(=O)CC(=CCC1=C(C=C2COC(=O)C2=C1O)OC)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10054","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,5r,6s,7r)-5,6-dihydroxy-1,7-bis(4-hydroxy-phenyl)-de-o-methylcentrolobine
{"Ingredient_id": "HBIN009658","Ingredient_name": "(3s,5r,6s,7r)-5,6-dihydroxy-1,7-bis(4-hydroxy-phenyl)-de-o-methylcentrolobine","Alias": "NA","Ingredient_formula": "C19H22O5","Ingredient_Smile": "C1C(OC(C(C1O)O)C2=CC=C(C=C2)O)CCC3=CC=C(C=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5776","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,5s,6r,7r)-5,6-dihydroxy-1,7-bis(4-hydroxy-phenyl)-de-o-methylcentrolobine
{"Ingredient_id": "HBIN009670","Ingredient_name": "(3s,5s,6r,7r)-5,6-dihydroxy-1,7-bis(4-hydroxy-phenyl)-de-o-methylcentrolobine","Alias": "NA","Ingredient_formula": "C19H22O5","Ingredient_Smile": "C1C(OC(C(C1O)O)C2=CC=C(C=C2)O)CCC3=CC=C(C=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5777","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,5s,6s,7r)-5,6-dihydroxy-1,7-bis(4-hydroxy-phenyl)-4 ′′-de-o-methylcentrolobine
{"Ingredient_id": "HBIN009672","Ingredient_name": "(3s,5s,6s,7r)-5,6-dihydroxy-1,7-bis(4-hydroxy-phenyl)-4 \u2032\u2032-de-o-methylcentrolobine","Alias": "NA","Ingredient_formula": "C19H22O5","Ingredient_Smile": "C1C(OC(C(C1O)O)C2=CC=C(C=C2)O)CCC3=CC=C(C=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5778","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(4r,6s)-7-hydroxycarveol 7-o-β-d-glucopyra-noside
{"Ingredient_id": "HBIN010871","Ingredient_name": "(4r,6s)-7-hydroxycarveol 7-o-\u03b2-d-glucopyra-noside","Alias": "NA","Ingredient_formula": "C16H26O7","Ingredient_Smile": "CC(=C)C1CC=C(C(C1)O)COC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9895","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5β-hydroxy-cis-dehydrocrotonin
{"Ingredient_id": "HBIN011473","Ingredient_name": "5\u03b2-hydroxy-cis-dehydrocrotonin","Alias": "NA","Ingredient_formula": "C19H22O5","Ingredient_Smile": "CC1CCC2(C(C13CC(OC3=O)C4=COC=C4)CC(=O)C=C2C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9971","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(5s,6s)-5,6-dihydroxy-4''-de-o-methylcentro-lobine
{"Ingredient_id": "HBIN011944","Ingredient_name": "(5s,6s)-5,6-dihydroxy-4''-de-o-methylcentro-lobine","Alias": "NA","Ingredient_formula": "C19H22O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5803","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6alpha-methyl-2,6beta-dihydroxymethyl-bicyclo[3.1.1]-hept-2-ene-2beta-o-glucoside
{"Ingredient_id": "HBIN012212","Ingredient_name": "6alpha-methyl-2,6beta-dihydroxymethyl-bicyclo[3.1.1]-hept-2-ene-2beta-o-glucoside","Alias": "6\u03b1-methyl-2,6\u03b2-dihydroxymethylbicyclo[3.1.1]-hept-2-ene-2\u03b2-o-glucoside","Ingredient_formula": "C16H26O7","Ingredient_Smile": "CC1(C2CC=C(C1C2)COC3C(C(C(C(O3)CO)O)O)O)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31592;14304","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(7s,8s,7's,8's)-3,3',4'-trihydroxy-4-methoxy-7,7'-epoxylignan
{"Ingredient_id": "HBIN013478","Ingredient_name": "(7s,8s,7's,8's)-3,3',4'-trihydroxy-4-methoxy-7,7'-epoxylignan","Alias": "NA","Ingredient_formula": "C19H22O5","Ingredient_Smile": "CC1C(C(OC1C2=CC(=C(C=C2)O)O)C3=CC(=C(C=C3)OC)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21755","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
aguerin B
{"Ingredient_id": "HBIN014919","Ingredient_name": "aguerin B","Alias": "NA","Ingredient_formula": "C19H22O5","Ingredient_Smile": "CC(=C)C(=O)OC1CC(=C)C2CC(C(=C)C2C3C1C(=C)C(=O)O3)O","Ingredient_weight": "330.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32709","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "155102","DrugBank_id": "NA"}
anticancerstilbenoid pmv70p691-038
{"Ingredient_id": "HBIN016358","Ingredient_name": "anticancerstilbenoid pmv70p691-038","Alias": "NA","Ingredient_formula": "C19H22O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1442","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
auraptene; Δ7'-isomer,5',6'-dihydroxy
{"Ingredient_id": "HBIN017366","Ingredient_name": "auraptene; \u03947'-isomer,5',6'-dihydroxy","Alias": "NA","Ingredient_formula": "C19H22O5","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6474","PubChem_id": "NA","DrugBank_id": "NA"}