Exact Mass: 374.2416744
Exact Mass Matches: 374.2416744
Found 500 metabolites which its exact mass value is equals to given mass value 374.2416744
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Calcitroic acid
Calcitroic acid (1 alpha-hydroxy-23 carboxy-24,25,26,27-tetranorvitamin D(3)) is a metabolite of 1 alpha, 25-dihydroxyvitamin D(3) (calcitriol). It is soluble in water, and is excreted in urine. This deactivation process involves a series of oxidation reactions at C24 and C23 leading to side-chain cleavage and, ultimately, formation of the calcitroic acid. This deactivation involves the loss of carbons 24, 25, 26, and 27 and the oxidation of carbon 23 to a carboxylic acid. Calcitroic acid is also a major terminal product for the deactivation of 1α,25-dihydroxyvitamin D2. Both the kidney and the intestine metabolize 1,25-dihydroxyvitamin D3 through the C-24 oxidation pathway according to the following steps: 1,25-dihydroxyvitamin D3----1,24,25-trihydroxyvitamin D3----1,25-dihydroxy-24-oxovitamin D3-----1,23,25-trihydroxy-24-oxovitamin D3 (PMID: 2719932). The C-24 oxidation pathway leading to the formation of calcitroic acid has been reported to be present in bone cells, but the C-23 oxidation pathway leading to the formation of 1 alpha, 25-(OH)2D3-26,23-lactone has not been described in bone cells, even though 1 alpha, 25-(OH)2D3-26,23-lactone is noted to have a significant effect on bone formation. (PMID: 7664636) [HMDB] Calcitroic acid (1 alpha-hydroxy-23 carboxy-24,25,26,27-tetranorvitamin D(3)) is a metabolite of 1 alpha, 25-dihydroxyvitamin D(3) (calcitriol). It is soluble in water, and is excreted in urine. This deactivation process involves a series of oxidation reactions at C24 and C23 leading to side-chain cleavage and, ultimately, formation of the calcitroic acid. This deactivation involves the loss of carbons 24, 25, 26, and 27 and the oxidation of carbon 23 to a carboxylic acid. Calcitroic acid is also a major terminal product for the deactivation of 1α,25-dihydroxyvitamin D2. Both the kidney and the intestine metabolize 1,25-dihydroxyvitamin D3 through the C-24 oxidation pathway according to the following steps: 1,25-dihydroxyvitamin D3----1,24,25-trihydroxyvitamin D3----1,25-dihydroxy-24-oxovitamin D3-----1,23,25-trihydroxy-24-oxovitamin D3 (PMID: 2719932). The C-24 oxidation pathway leading to the formation of calcitroic acid has been reported to be present in bone cells, but the C-23 oxidation pathway leading to the formation of 1 alpha, 25-(OH)2D3-26,23-lactone has not been described in bone cells, even though 1 alpha, 25-(OH)2D3-26,23-lactone is noted to have a significant effect on bone formation. (PMID: 7664636). D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
Tsangane L 3-glucoside
Tsangane L 3-glucoside is isolated from sloe tree leaves (Prunus spinosa). Potential aroma compound. Isolated from sloe tree leaves (Prunus spinosa). Potential aroma compound
(-)-Folicanthine
(-)-Folicanthine is found in herbs and spices. (-)-Folicanthine is an alkaloid from Calycanthus floridus (Carolina allspice) and Calycanthus occidentalis (Californian allspice
omega-hydroxyfinasteride
omega-hydroxyfinasteride is a metabolite of finasteride. Finasteride (brand names Proscar and Propecia by Merck, among other generic names) is a synthetic 5α-reductase inhibitor, an inhibitor of the enzyme that converts testosterone to dihydrotestosterone (DHT). Finasteride is approved for the treatment of benign prostatic hyperplasia (BPH) and male pattern baldness (MPB). (Wikipedia)
Digitoxigenin
Rostafuroxin
phytyl monophosphate
Phytyl monophosphate is also known as phytyl monophosphoric acid. Phytyl monophosphate is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Phytyl monophosphate can be found in a number of food items such as vanilla, chinese cabbage, lovage, and oat, which makes phytyl monophosphate a potential biomarker for the consumption of these food products.
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)butan-2-yloxy]oxane-3,4,5-triol
21-ACETOXYPREGNENOLONE
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
12-O-methylcarnosic acid methyl ester|methyl 12-O-carnosoate
rel-(1R,4S,5R)-2-(1-farnesyl-4,5-dihydroxy-2-oxocyclohexan-1-yl)-acetic acid delta-lactone
3beta,16beta-Dihydroxy-6-oxo-24-nor-5alpha-cholansaeure-23-lacton|Chiogralacton|Chiogralactone
(+)-(5S,8S,9R,10S)-15,20-dimethoxypuupehenol|15,20-dimethoxypuupehenol
ent-12beta-acetoxykaur-16-en-19-oic acid methyl ester
3-Ac-(3beta,16alpha)-3,16-Dihydroxypregn-5-en-20-one
Cannabigerolinsaeure-methylester|Methyl-cannabigerolat
2,2,6-Trimethyl-4-(butanoyloxymethyl)-5-[2-(butanoyloxy)ethyl]indan
(3beta,5beta,14beta,15beta,20R,21R,22S)-14,21:15,21:20,22-triepoxy-24-norcholan-3-ol
(3S,3aS,5aR,9S,11S,13bR)-3-[(2S)-2,4-dihydroxybutan-2-yl]-1,2,3,3a,4,5,5a,8,9,10,11,13b-dodecahydro-9-hydroxy-3a-methyl-12H-6,11-methanocyclodeca[e]inden-12-one|norcyclocitrinol A
ent-7alpha-acetoxytrachyloban-18-oic acid|trachylobane-360
methyl 12(S)-acetoxy-5(Z),8(Z),10(E),14(Z)-eicosapentaenoate
(Z,Z)-2,5-dihydroxy-3-(heptadeca-8,11-dienyl)-1,4-benzoquinone|2-(heptadeca-8,11-dienyl)-3,6-dihydroxy-1,4-benzoquinone
Di-Me ester-(9S,10S)-9,10-Dihydroxyoctadecanedioic acid
7,7-dimethyl-2,6-di(gamma,gamma-dimethylallyl)-4-(1-oxo-2-methylpropyl)-1,2,3,4-tetrahydrofurano[1,4-af]cyclohexa-1,3-dione|garcinielliptone J
(8alpha,12S,13S,14S)-14-Chloro-8,12-epoxy-13,15,16-labdanetriol
C20H35ClO4 (374.22237400000006)
5-methoxycannabigerolic acid|cannabigerolic acid monomethyl ether
4,6-dimethoxy-2-[(8Z,11Z)-8,11,14-pentadecatriene]resorcinol
(14R)-ent-Kaur-16-en-14-yl hydrogen malonate|ent-16-kauren-14R-yl hydrogen malonate
C19H34O7_4-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butanyl beta-D-glucopyranoside
2-hydroxy-4-methoxy-3,5-bis(3-methylbut-2-enyl)-6-pentylbenzoic acid
Digitoxigenin
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 23
Ala Ala Ile Thr
Ala Ala Leu Thr
Ala Ala Thr Ile
Ala Ala Thr Leu
Ala Ile Ala Thr
Ala Ile Thr Ala
Ala Leu Ala Thr
Ala Leu Thr Ala
Ala Ser Val Val
Ala Thr Ala Ile
Ala Thr Ala Leu
Ala Thr Ile Ala
Ala Thr Leu Ala
Ala Val Ser Val
Ala Val Val Ser
Gly Ile Ser Val
Gly Ile Val Ser
Gly Leu Ser Val
Gly Leu Val Ser
Gly Ser Ile Val
Gly Ser Leu Val
Gly Ser Val Ile
Gly Ser Val Leu
Gly Thr Val Val
Gly Val Ile Ser
Gly Val Leu Ser
Gly Val Ser Ile
Gly Val Ser Leu
Gly Val Thr Val
Gly Val Val Thr
Ile Ala Ala Thr
Ile Ala Thr Ala
Ile Gly Ser Val
Ile Gly Val Ser
Ile Ser Gly Val
Ile Ser Val Gly
Ile Thr Ala Ala
Ile Val Gly Ser
Ile Val Ser Gly
Leu Ala Ala Thr
Leu Ala Thr Ala
Leu Gly Ser Val
Leu Gly Val Ser
Leu Ser Gly Val
Leu Ser Val Gly
Leu Thr Ala Ala
Leu Val Gly Ser
Leu Val Ser Gly
Ser Ala Val Val
Ser Gly Ile Val
Ser Gly Leu Val
Ser Gly Val Ile
Ser Gly Val Leu
Ser Ile Gly Val
Ser Ile Val Gly
Ser Leu Gly Val
Ser Leu Val Gly
Ser Val Ala Val
Ser Val Gly Ile
Ser Val Gly Leu
Ser Val Ile Gly
Ser Val Leu Gly
Ser Val Val Ala
Thr Ala Ala Ile
Thr Ala Ala Leu
Thr Ala Ile Ala
Thr Ala Leu Ala
Thr Gly Val Val
Thr Ile Ala Ala
Thr Leu Ala Ala
Thr Val Gly Val
Thr Val Val Gly
Val Ala Ser Val
Val Ala Val Ser
Val Gly Ile Ser
Val Gly Leu Ser
Val Gly Ser Ile
Val Gly Ser Leu
Val Gly Thr Val
Val Gly Val Thr
Val Ile Gly Ser
Val Ile Ser Gly
Val Leu Gly Ser
Val Leu Ser Gly
Val Ser Ala Val
Val Ser Gly Ile
Val Ser Gly Leu
Val Ser Ile Gly
Val Ser Leu Gly
Val Ser Val Ala
Val Thr Gly Val
Val Thr Val Gly
Val Val Ala Ser
Val Val Gly Thr
Val Val Ser Ala
Val Val Thr Gly
Calcitroate
(-)-Folicanthine
Tsangane L 3-glucoside
4-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butanyl ?-D-glucopyranoside
ascr#24
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (13R)-13-hydroxymyristic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
oscr#24
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 14-hydroxytetradecanoic acid (14-hydroxymyristic acid) with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
Uzarigenin
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
Calcitroic acid
D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
Pirmenol hydrochloride
Pirmenol ((±)-Pirmenol) hydrochloride is an orally active antiarrhythmic agent. Pirmenol hydrochloride inhibits IK.ACh (IC50: 0.1 μM) by blocking mAchR. Pirmenol hydrochloride can be used in the research of cardiovascular disease, such as atrial fibrillation[1][2][4].
TRANS,TRANS-4-FLUOROPHENYL 4-PENTYLBICYCLOHEXYL-4-CARBOXYLATE
bis(2-ethylhexyl) 2,2-thiobisacetate
C20H38O4S (374.24906680000004)
Lysine, N2,N6-dicarboxy-, di-tert-butyl 1-ethyl ester
1,1,3,3-TETRAMETHYL-1,3-BIS[2-(5-NORBORNEN-2-YL)ETHYL]DISILOXANE
Benzyl 2-((Tert-Butoxycarbonyl)Amino)-7-Azaspiro[3.5]Nonane-7-Carboxylate
2-[9-(diethylamino)-1,2,3,4,4a,6,6a,12b-octahydrobenzo[a]phenoxazin-5-ylidene]propanedinitrile
4-ethyl-2-methylideneoctanoic acid,2-methylprop-2-enoic acid,styrene
8-Benzyl 1-(2-methyl-2-propanyl) 1,8-diazaspiro[4.5]decane-1,8-di carboxylate
Rostafuroxin
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent
Thiourea, N-cyclopentyl-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-N-(2-methoxyethyl)- (9CI)
Diethyl 5,5-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate)
butyl 2-methylprop-2-enoate,butyl prop-2-enoate,styrene
Tinabinol
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent
2-(Pyrrolidin-1-yl)cyclohexyl (3-(pentyloxy)phenyl)carbamate
N-[3-(1-imidazolyl)propyl]-2-methyl-3-phenyl-5-propyl-7-pyrazolo[1,5-a]pyrimidinamine
(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid
2-(Hydroxymethyl)-6-[4-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)butan-2-yloxy]oxane-3,4,5-triol
Digitoxigenin
(13R)-13-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]tetradecanoic acid
14-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]tetradecanoic acid
[(E)-3,7,11,15-tetramethylhexadec-2-enyl] phosphate
[(1S)-3-carboxy-1-(11-carboxyundecanoyloxy)propyl]-trimethylazanium
C19H36NO6+ (374.25424960000004)
[3-Carboxy-2-(11-carboxyundecanoyloxy)propyl]-trimethylazanium
C19H36NO6+ (374.25424960000004)
tuberostemonine A
A natural product found particularly in Stemona tuberosa and Stemona sessilifolia.
N-arachidonoyl-L-alaninate
An N-acyl-L-alpha-amino acid anion that is the conjugate base of N-arachidonoyl-L-alanine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
2-(4-ethylphenyl)-N-(4-methyl-1-piperazinyl)-4-quinolinecarboxamide
1-butyl-2-(2-methylphenyl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one
acetic acid [(1S)-1-hydroxy-1,10a,12a-trimethyl-8-oxo-2,3,4,4a,4b,5,6,9,10,10b,11,12-dodecahydrochrysen-2-yl] ester
13-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxotridecanoic acid
(12R)-12-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxotridecanoic acid
cyclohexyl-[(1R,5S)-7-[4-(3-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[[(2R,3R,4R)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-(2-methoxyethyl)acetamide
(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C20H30N4O3 (374.23177899999996)
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[[(2S,3S,4S)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-(2-methoxyethyl)acetamide
N-[[(2R,3S,4S)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-(2-methoxyethyl)acetamide
N-[[(2S,3R,4R)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-(2-methoxyethyl)acetamide
(1R,5S)-6-(oxan-4-ylmethyl)-7-[4-[(E)-2-phenylethenyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane
[(2R)-3-carboxy-2-(11-carboxyundecanoyloxy)propyl]-trimethylazanium
C19H36NO6+ (374.25424960000004)
[3-Carboxy-1-(11-carboxyundecanoyloxy)propyl]-trimethylazanium
C19H36NO6+ (374.25424960000004)
3,5,5-Trimethyl-4-[3-[(beta-D-glucopyranosyl)oxy]butyl]-3-cyclohexen-1-ol
(1R,2S,4aS,5R,6R)-5-(2-hydroxyethyl)-1,5-bis(hydroxymethyl)-1,4a,6-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2-oxolane]-2-ol;hydrate
N-(2-hydroxypropan-2-yl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
4-[(3as,5ar,7s,9as,11ar)-3a,7-dihydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
3-(3,7-dimethylocta-2,6-dien-1-yl)-2-hydroxy-4-methoxy-6-pentylbenzoic acid
methyl 6-(acetyloxy)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2h-phenanthrene-1-carboxylate
(1r,4s,7e,9s,10s,13s)-5,5,9,13-tetramethyl-7-(phenylmethylidene)tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-6-one
3-oxo-3-{[(1r,4s,5r,9s,10r,13s)-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-5-yl]methoxy}propanoic acid
3-(heptadeca-8,11-dien-1-yl)-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
4,6-dimethoxy-2-[(8z,11z)-pentadeca-8,11,14-trien-1-yl]benzene-1,3-diol
(2r,3r,4r,5s,6r)-2-{[(1r)-4-[(3r)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
methyl (1r,4ar,4bs,6r,7s)-6-(acetyloxy)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2h-phenanthrene-1-carboxylate
4-{3a,4-dihydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl}-5h-furan-2-one
methyl 2-[1-(acetyloxy)-6-methylhepta-2,5-dien-2-yl]-5-methyl-9-methylidenecyclonon-5-ene-1-carboxylate
3-[(8z,11z)-heptadeca-8,11-dien-1-yl]-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
methyl (4ar)-7-isopropyl-5,6-dimethoxy-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate
(3r,9s)-megastigman-5-en-3,9-diol-3-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN009577","Ingredient_name": "(3r,9s)-megastigman-5-en-3,9-diol-3-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C19H34O7","Ingredient_Smile": "CC1=C(C(CC(C1)OC2C(C(C(C(O2)CO)O)O)O)(C)C)CCC(C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13636","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alatoside e
{"Ingredient_id": "HBIN015048","Ingredient_name": "alatoside e","Alias": "NA","Ingredient_formula": "C19H34O7","Ingredient_Smile": "CC1CC(CC(C1CCC(=O)C)(C)C)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "374.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "842","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11025164","DrugBank_id": "NA"}
methyl 3-[(7e)-8-(2-hydroxypropan-2-yl)-3a,10b-dimethyl-3-oxo-1h,2h,4h,6h,8h,9h,10h,10ah-cyclohepta[e]inden-7-ylidene]propanoate
8-hydroxy-5-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-2-oxabicyclo[3.3.1]nonane-3,6-dione
4,6-dimethoxy-2-(pentadeca-8,11,14-trien-1-yl)benzene-1,3-diol
methyl (1r,4ar,4br,6s,10as)-6-(acetyloxy)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
(3r,4as,7as)-3,4a-dimethyl-3-(2-methyl-8-phenyloctyl)-dihydro-4h-furo[3,2-c][1,2]dioxin-6-one
5-[17-(hydroxyimino)heptadec-5-enoyl]-1h-pyrrole-2-carbaldehyde
2,4-dimethyl (1r,2s,3s,4r,8r,9r,12r)-8-formyl-4-methyl-13-methylidenetetracyclo[10.2.1.0¹,⁹.0³,⁸]pentadecane-2,4-dicarboxylate
4-[(2e)-4-hydroxy-4-methylpent-2-en-1-ylidene]-7-methyl-11-methylidene-1-oxo-3h,4ah,5h,6h,9h,10h,11ah-cyclonona[c]pyran-9-yl acetate
1,5,9,12,12-pentamethyl-4,8-dioxo-16-oxatricyclo[11.2.1.0³,⁷]hexadeca-2,5-dien-7-yl acetate
(1s,3r,5r,8z,11r,12e,15r)-3,8,12-trimethyl-16-methylidene-17-oxo-4,18-dioxatricyclo[13.3.0.0³,⁵]octadeca-8,12-dien-11-yl acetate
2-isopropyl-10,10-dimethoxy-4b,8,8-trimethyl-5,6,7,8a-tetrahydrophenanthrene-1,4,9-trione
3-methyl-6-(5-oxo-2h-furan-3-yl)-1-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)hex-3-en-1-yl acetate
methyl 15-(acetyloxy)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
methyl (1r,4r,5r,9s,10s,13r,15s)-15-(acetyloxy)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
5-[(5z,17e)-17-(hydroxyimino)heptadec-5-enoyl]-1h-pyrrole-2-carbaldehyde
2-(3,7-dimethylocta-2,6-dien-1-yl)-3,6-dihydroxy-5-pentylphenyl acetate
methyl (1r,4ar,4bs,6r,7s,10ar)-6-(acetyloxy)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2h-phenanthrene-1-carboxylate
methyl 2-[(4ar,10as)-5-hydroxy-7-isopropyl-6-methoxy-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-4a-yl]acetate
(2r,3r,4s,5s,6r)-2-{[(2r)-4-[(4s)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]butan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
methyl 6-(acetyloxy)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2h-phenanthrene-1-carboxylate
3-{[(1s,4as,7s,8as,10ar)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2h-phenanthren-1-yl]methoxy}-3-oxopropanoic acid
methyl (1r,4ar,4br,6r,10as)-6-(acetyloxy)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
4-(2,2,6-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)butan-2-one
4-[(1s,4s,6r)-2,2,6-trimethyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl]butan-2-one
4-[(1r,3as,3br,5as,7s,9as,9br,11ar)-3a,7-dihydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
2-{[4-(4-hydroxy-2,2,6-trimethylcyclohexyl)but-3-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
methyl (1s,4s,5r,9s,10r,12s,13r)-12-(acetyloxy)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
(2r,3r,4s,5s,6r)-2-{[(1s,4r,5s)-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-3,3,5-trimethylcyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
3-{[(1s,4s,5r,9s,10r,13r)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl]methoxy}-3-oxopropanoic acid
(2r,3r,4s,5s,6r)-2-{[(1r)-4-[(3s)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-{[4-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
4-[(1r,3as,3br,5ar,7r,9as,9bs,11ar)-3a,7-dihydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
3-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-pentylphenyl acetate
methyl (1r,4ar,6r,7s,8as,10as)-6-(acetyloxy)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2h-phenanthrene-1-carboxylate
2-{4-[(butanoyloxy)methyl]-2,2,6-trimethyl-1,3-dihydroinden-5-yl}ethyl butanoate
methyl 12-(acetyloxy)icosa-5,8,10,14,17-pentaenoate
(1r,5r,8s)-8-hydroxy-5-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-oxabicyclo[3.3.1]nonane-3,6-dione
3-oxo-3-{[(1r,4r,9r,10s,13r,15r)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-yl]oxy}propanoic acid
4,4-dimethyl-1,3-bis(3-methylbut-2-en-1-yl)-5-(2-methylpropanoyl)-6-oxabicyclo[3.2.1]octane-7,8-dione
(1s,5r,8e,16s,19r)-4,8,19,20,20-pentamethyl-11,15-dioxatricyclo[14.3.1.0⁵,¹⁹]icosa-3,8-diene-12,14-dione
4-[(1r,3as,3bs,5as,7s,9as,9br,11ar)-3a,7-dihydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
(2r,3r,4s,5s,6r)-2-{[(1r)-4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-{[4-(5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
4-[(1s,3ar,3br,5ar,7s,9as,9bs,11ar)-3a,7-dihydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
3-{[(1s,4as,4bs,7s,10as)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2h-phenanthren-1-yl]methoxy}-3-oxopropanoic acid
6-(2,4-dihydroxybutan-2-yl)-15-hydroxy-5-methyltetracyclo[11.4.1.0²,¹⁰.0⁵,⁹]octadeca-1(17),10-dien-12-one
methyl 6-(acetyloxy)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
(1r,4s,7r,9ar,10r,11ar)-1-ethenyl-4,10-dihydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate
7-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-4b,7,10a-trimethyl-1-methylidene-5,6,8,8a,9,10-hexahydro-4ah-phenanthren-2-one
5-[(5z,17z)-17-(hydroxyimino)heptadec-5-enoyl]-1h-pyrrole-2-carbaldehyde
methyl 3-[(3as,7z,8r,10ar,10bs)-8-(2-hydroxypropan-2-yl)-3a,10b-dimethyl-3-oxo-1h,2h,4h,6h,8h,9h,10h,10ah-cyclohepta[e]inden-7-ylidene]propanoate
(4s,5r)-3,3,5-trimethyl-4-[(3r)-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]cyclohexan-1-one
4-[(1s,4s,6r)-2,2,6-trimethyl-4-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl]butan-2-one
(1s,2r,3's,5s,6s,9s,11r,14r,15s,17r,19r,21r)-2,3',6-trimethyl-16,18-dioxaspiro[hexacyclo[15.3.1.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0¹⁵,¹⁹]henicosane-21,2'-oxiran]-9-ol
3-oxo-3-{[(1r,4s,5s,9s,10r,13s)-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-5-yl]methoxy}propanoic acid
2-{[4-(3-hydroxybut-1-en-1-yl)-3,3,5-trimethylcyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{[(2r)-4-[(5r)-5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]butan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1r,3as,3bs,4s,7r,9ar,9bs,10r,11ar)-1-ethenyl-4,10-dihydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate
5,5,9,13-tetramethyl-7-(phenylmethylidene)tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-6-one
2-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3,6-dihydroxy-5-pentylphenyl acetate
methyl 3-{[(1r,2r,4as,8as)-2-hydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl]methyl}-4-hydroxybenzoate
(1s,5s,8r)-8-hydroxy-5-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-oxabicyclo[3.3.1]nonane-3,6-dione
3-oxo-3-({5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-16-yl}oxy)propanoic acid
(2s,3r,4r,5s,6r)-2-{[(1r)-4-[(3r)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
3-{[(1r,4as,7s,8as,10ar)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2h-phenanthren-1-yl]methoxy}-3-oxopropanoic acid
6-[2-(but-2-en-2-yl)-5,6-dihydroxy-1a,6-dimethyl-octahydronaphtho[1,2-b]oxiren-3-yl]-3-methylhexa-3,5-dien-2-one
3-(3,7-dimethylocta-2,6-dien-1-yl)-4,6-dihydroxy-2-pentylphenyl acetate
(1r,5r,8e,16s,19s)-4,8,19,20,20-pentamethyl-11,15-dioxatricyclo[14.3.1.0⁵,¹⁹]icosa-3,8-diene-12,14-dione
methyl (1r,2s,5e)-2-[(2e)-1-(acetyloxy)-6-methylhepta-2,5-dien-2-yl]-5-methyl-9-methylidenecyclonon-5-ene-1-carboxylate
3-oxo-3-({5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-yl}oxy)propanoic acid
3-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-2-hydroxy-4-methoxy-6-pentylbenzoic acid
(2r,3r,4s,5s,6r)-2-{[(1r)-4-[(3r)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{[(2r)-4-[(4r)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]butan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
methyl 2-(5-hydroxy-7-isopropyl-6-methoxy-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-4a-yl)acetate
(3e,5e)-6-[(1ar,2r,3s,3as,5r,6r,7ar,7bs)-2-[(2e)-but-2-en-2-yl]-5,6-dihydroxy-1a,6-dimethyl-octahydronaphtho[1,2-b]oxiren-3-yl]-3-methylhexa-3,5-dien-2-one
(4ar,4bs,7s,8as,10as)-7-[(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-4b,7,10a-trimethyl-1-methylidene-5,6,8,8a,9,10-hexahydro-4ah-phenanthren-2-one
4-[(1r,3as,3br,4s,5ar,9as,9bs,11ar)-3a,4-dihydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
methyl (5z,8z,10e,12s,14z,17z)-12-(acetyloxy)icosa-5,8,10,14,17-pentaenoate
(2s,3s)-2-[(2s,3ar,5as,9as,9br)-3a,6,6,9a-tetramethyl-octahydro-1h-naphtho[2,1-b]furan-2-yl]-3-chlorobutane-1,2,4-triol
C20H35ClO4 (374.22237400000006)