Exact Mass: 330.162
Exact Mass Matches: 330.162
Found 500 metabolites which its exact mass value is equals to given mass value 330.162,
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].
GA7-1
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].
Gibberellin A5
Gibberellin A5 is a C19-gibberellin initially identified in Gibberella fujikuroi and differing from gibberellin A1 by the absence of the OH at C-2 and the presence of a double bond between C-3 and C-3 (gibbane numbering). It has a role as a plant metabolite and a mouse metabolite. It is a lactone, a C19-gibberellin and a gibberellin monocarboxylic acid. Gibberellin A5 is a natural product found in Prunus persica var. nucipersica, Cucumis melo, and other organisms with data available. A C19-gibberellin initially identified in Gibberella fujikuroi and differing from gibberellin A1 by the absence of the OH at C-2 and the presence of a double bond between C-3 and C-3 (gibbane numbering).
gibberellin A51-catabolite
A tetracyclic diterpenoid obtained by catabolism of gibberellin A51.
Proparacaine Hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
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.
2-(2-hydroxypropan-2-yl)-6-[2-(oxiran-2-yl)propan-2-yl]-2H,3H,7H-furo[3,2-g]chromen-7-one
(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.
Hericenone A
Hericenone A is found in mushrooms. Hericenone A is a constituent of the edible lions mane mushroom (Hericium erinaceum) Constituent of the edible lions mane mushroom (Hericium erinaceum). Hericenone A is found in mushrooms.
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)
Gibberellin A95
Gibberellin A95 (GA95) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A95 is found in fruits. Gibberellin A95 is a constituent of Prunus cerasus (cherry) seeds. Constituent of Prunus cerasus (cherry) seeds. Gibberellin A95 is found in fruits, sour cherry, and peach.
Gibberellin A62
Gibberellin A62 (GA62) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A62 is found in apple. Gibberellin A62 is a constituent of Pyrus malus (apple). Constituent of Pyrus malus (apple). Gibberellin A62 is found in apple, pomes, and common wheat.
(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.
Fragransol B
Fragransol B is found in herbs and spices. Fragransol B is a constituent of Myristica fragrans (nutmeg). Constituent of Myristica fragrans (nutmeg). Fragransol B is found in nutmeg and herbs and spices.
Gibberellin A88
Gibberellin A88 (GA88) belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Gibberellin A88 is found in apple. Gibberellin A88 is a constituent of apple seeds (Malus domestica). Constituent of apple seeds (Malus domestica). Gibberellin A88 is found in apple and pomes.
Gibberellin A121
Gibberellin A121 (GA121) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A121 is found in fruits. Gibberellin A121 is a constituent of immature Prunus persica (peach) seeds. Constituent of immature Prunus persica (peach) seeds. Gibberellin A121 is found in fruits and peach.
Gibberellin A108
Gibberellin A108 is found in apple. Gibberellin A108 is a constituent of apple seeds (Malus domestica) Constituent of apple seeds (Malus domestica). Gibberellin A108 is found in apple and pomes.
Gibberellin A105
Gibberellin A105 is found in apple. Gibberellin A105 is a constituent of apple seeds (Malus domestica) Constituent of apple seeds (Malus domestica). Gibberellin A105 is found in apple and pomes.
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
(R)-4-(2-(2-(2-Methylpyrrolidin-1-yl)ethyl)benzofuran-5-yl)benzonitrile
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists
Pirsidomine
Gibberellin A7
Gibberellin a7 is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a7 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a7 can be found in a number of food items such as common wheat, corn, apple, and chayote, which makes gibberellin a7 a potential biomarker for the consumption of these food products. 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].
Gibberellin A5
Gibberellin a5 is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a5 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a5 can be found in a number of food items such as tea, apricot, common pea, and sweet cherry, which makes gibberellin a5 a potential biomarker for the consumption of these food products.
gibberellin A51-catabolite
Gibberellin a51-catabolite is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a51-catabolite is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a51-catabolite can be found in a number of food items such as grapefruit/pummelo hybrid, garden rhubarb, black huckleberry, and italian sweet red pepper, which makes gibberellin a51-catabolite a potential biomarker for the consumption of these food products.
(+)-7-(6,7-Epoxy-3,7-dimethyl-5-oxooctanoxy)-coumarin
[4S-(4alpha,4aalpha,5alpha,6alpha)]-4,4a,5,6,7,9-Hexahydro-6-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-propenoic acid
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
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
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D018926 - Anti-Allergic Agents
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
Pergolide sulfoxide
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
N-(4-Acetamido-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acrylamide
(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
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
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
L-N(omega)-Nitroarginine-(4R)-amino-L-proline amide
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
2-anilino-N-(3,5-dimethylphenyl)-2-phenylacetamide
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
3,3-Dimethyl-11-o-tolyl-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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"}
