Chemical Formula: C19H28O4
Chemical Formula C19H28O4
Found 255 metabolite its formula value is C19H28O4
2-((2E)-3,7-Dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-1,4-benzenediol
[8]-Gingerdione
[8]-Gingerdione is found in herbs and spices. [8]-Gingerdione is a constituent of Zingiber officinale (ginger). Constituent of Zingiber officinale (ginger). [8]-Gingerdione is found in herbs and spices.
10-Acetylpanaxytriol
10-Acetylpanaxytriol is found in tea. 10-Acetylpanaxytriol is found in ginseng roots. Found in ginseng roots
Oryzalide A
Oryzalide A is found in cereals and cereal products. Oryzalide A is isolated from rice leaves. Isolated from rice leaves. Oryzalide A is found in cereals and cereal products.
Oryzalide B
Oryzalide B is found in cereals and cereal products. Oryzalide B is isolated from rice leaves. Isolated from rice leaves. Oryzalide B is found in cereals and cereal products.
5'-Carboxy-alpha-chromanol
5-carboxy-alpha-tocopherol is a dehydrogenation carboxylate product of 5-hydroxy-a-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate. The tocopherols ( a-tocopherol , b-tocopherol ,r-tocopherol and d-tocopherol ) and their corresponding tocotrienols are synthesized by plants and have vitamin E antixoidant activity (see pathway vitamin E biosynthesis ). They differ in the number and location of methyl groups on the chromanol ring. The naturally occurring form of a-tocopherol is (2R,4R,8R)-a-tocopherol (synonym (R,R,R)-a-tocopherol). Synthetic a-tocopherols are a racemic mixture of eight different R and S stereoisomers. Only the 2R forms are recognized as meeting human requirements. The in vivo function of vitamin E is to scavenge peroxyl radicals via its phenolic (chromanol) hydroxyl group, thus protecting lipids against free radical-catalyzed peroxidation. The tocopheryl radical formed can then be reduced by reductants such as L-ascorbate. Other major products of a-tocopherol oxidation include α-tocopherylquinone and epoxy-a-tocopherols. The metabolites a-tocopheronic acid and its lactone, known as the Simon metabolites, are generally believed to be artefacts. In addition to these oxidation products, the other major class of tocopherol metabolites is the carboxyethyl-hydroxychromans.These metabolites are produced in significant amounts in response to excess vitamin E ingestion. Vitamin E is fat-soluble and its utilization requires intestinal fat absorption mechanisms. It is secreted from the intestine into the lymphatic system in chylomicrons which subsequently enter the plasma. Lipolysis of these chylomicrons can result in delivery of vitamin E to tissues, transfer to high-density lipoproteins (and subsequently to other lipoproteins via the phospholipid exchange protein), or retention in chylomicron remnants. These remnants are taken up by the liver. Natural (R,R,R)-α-tocopherol and synthetic 2R-α-tocopherols are then preferentially secreted from the liver into plasma as a result of the specificity of the α-tocopherol transfer protein. This protein, along with the metabolism of excess vitamin E in the liver and excretion into urine and bile, mediate the supply of a-tocopherol in plasma and tissues. 5-carboxy-alpha-tocopherol is a dehydrogenation carboxylate product of 5-hydroxy-a-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate
(8R,9S,10R,13S,14S,17S)-2,2,17-Trihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
(E,E)-(-)-2-[2-(2,2-Dimethyl-6-methylenecyclohexyl)ethyl]-1,3-butadiene-1,4-diol diacetate
Coralloidin D
(E,E)-2-[2-(2,6,6-Trimethyl-2-cyclohexen-1-yl)ethyl]-1,3-butadiene-1,4-diol diacetate
10beta-Hydroxy-6beta-isobutyryl-furanoeremophilane
Monacolin J
A polyketide that is monacolin L bearing an additional hydroxy substituent at position 8. Monacolin J is an inhibitor of cholesterol biosynthesis, and inhibits the activity of HMG-CoA reductase.
3,9-di(cyclohex-3-en-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane
(3beta,16alpha)-3,16,18-Trihydroxyandrost-5-en-17-one
anomalone D|methyl 8-((1S,5R)-4-oxo-5-((E)-4-oxopent-2-enyl)oxocyclopent-2-enyl)octanoate
(Z)-13,14-dihydroxy-7-oxo-caryophylla-2(12),5-dien-13-isobutyrate
4-h ydroxy-12-(3 ,4-methylenedioxyphen yl)-2-dodecanone
(3E,5E,9E)-8,11-Diacetoxy-3,7,11-trimethyldodeca-1,3,5,9-tetraene
Butanoyl-15-Hydroxy-3,11(13)-eudesmadien-12-oic acid
(5SR,8SR,9SR,10RS,13SR)-3-hydroxy-16-nor-2-oxodolabr-3-en-15-oic acid
13alpha,16alpha,17-trihydroxy-9alpha-methyl-19,20-di-nor-kauran-4-en-15-one|13??,16??,17-Trihydroxy-9??-methyl-19,20-di-nor-kauran-4-en-15-one
(4I<<)-2EC,15I<<-dihydroxy-19-norkaur-16-en-18-oic acid
(1R,2R,3aR,4S,7aS)-3a,4-dimethyl-4-methylene-2-oxodecahydro-2H-spiro[furan-3,2-indene]-1-yl isobutyrate|bakkenolide I|bakkenolide-I
(ent-2alpha,16alpha)-2-Hydroxy-15-oxo-18-nor-19-kauranoic acid
methyl ent-15,16-dinorisocopal-12-en-13-ol-19-oate
Me ester-(6E,9Z,11E,13E)-9-Formyl-15-hydroxy-6,9,11,13-heptadecatetraenoic acid
methyl 2-(1beta-geranyl-5beta-hydroxy-2-oxocyclohex-3-enyl)acetate|Methyl 2-(1??-geranyl-5??-hydroxy-2-oxocyclohex-3-enyl)acetate
(1R,1aR,1bS,4R,5R,5aS,6aR)-decahydro-5a-methyl-1-(1-methylethyl)-2-methylidenecyclopropa[a]indene-4,5-diyl diacetate|(1R,2R)-diacetoxycycloax-4(15)ene|(1S,3R,4R,5R,6S,9R,10R)-9,10-diacetoxy-1-methyl-4-(1-methylethyl)-7-methylidenetricyclo[4.4.0.0(3.5)]decane
2alpha,3alpha-dihydroxyandrostan-16-one 2beta,19-hemiketal
7beta,8alpha,9alpha,-trihydroxy-20-norisopimara-5(10),15-dien-6-one|smardaesidin F
(4S,5R,9S,10R)-methyl 19-hydroxy-15,16-dinorlabda-8(17),11E-dien-13-oxo-18-oate
(1R,2S,3R,4aR,5R,8aR)-5-[2-(furan-3-yl)ethyl]decahydro-1-(hydroxymethyl)-4a-methyl-6-methylidenenaphthalene-2,3-diol|austroeupatol
(5SR,8SR,9SR,10RS,13SR)-18-hydroxy-16-nor-3-oxodolabr-4(18)en-15-oic acid|tagalsin R
(8R)-2-[(2-methylpropanoyl)oxy]eremophil-7(11)-en-12,8-olide
methyl ent-2,4-seco-15,16-epoxy-4-oxo-3,19-dinorbeyer-15-en-2-oate
2,12-dioxo-A-norclerod-13(16)-en-15-oic acid|pentandranoic acid B
(+)-(1betaH,7E)-6-beta,11beta-dihydroxynorverticilla-4(18),7-diene-10,12-dione|(1R,4E,6S,11R)-1,6-dihydroxy-4,15,15-trimethyl-8-methylidenebicyclo[9.3.1]pentadec-4-ene-2,14-dione|cespihypotin W
6beta-isobutyryloxy-9beta-hydroxy-1beta,10beta-epoxyfuroeremophilane
3,9-dicyclohex-3-enyl-2,4,8,10-tetraoxaspiro[5.5]undecane
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1070
oryzalide A
oryzalide B
(3beta,7alpha,15alpha)-3,7,15-Trihydroxy-androst-5-en-17-one
60410-89-1
9,13,13-Trimethyl-3-oxo-2-oxatetracyclo[7.6.1.01,6.012,15]hexadecane-5-carboxylic acid
5-(6-HYDROXY-2,5,7,8-TETRAMETHYL-CHROMAN-2-YL)-2-METHYL-PENTANOIC ACID
(1R,8R,9S,13R,15S)-8,15-dihydroxy-5,5,9-trimethyl-14-methylidene-7-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
2-[(3aS,5aS,6S,9aS,9bS)-6-acetyl-3a,6-dimethyl-3-oxo-1,2,4,5,5a,7,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-yl]acetic acid
(8R,9S,10R,13S,14S,17S)-2,2,17-Trihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
Atractyligenin
A diterpenoid isolated from coffee silverskin. It inhibits cutaneous photoaging.
2,4-Dihydroxy-3-methyl-6-(2-oxoundecyl)benzaldehyde
A dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde in which the hydrogens at positions 3 and 6 have been replaced by a methyl and 2-oxoundecyl groups, respectively.
1,2-Benzenedicarboxylic acid isopropyl 2-ethylhexyl ester
3,4-Dihydro-2,5,7,8-tetramethyl-6-hydroxy-2H-1-benzopyran-2-propanoic acid isopropyl ester
(1R,6R,9R)-9,13,13-trimethyl-3-oxo-2-oxatetracyclo[7.6.1.01,6.012,15]hexadecane-5-carboxylic acid
2,3-dihydroxypropyl (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
5H-1b,10-Methanooxireno[6,7]cyclohepta[1,2-h][2]benzopyran-5-one, dodecahydro-7-hydroxy-4,4,7a,10a-tetramethyl-, (1aS,1bS,3aR,7S,7aR,7bS,10S,10aR)-
15,16-dihydroxy-5-methyl-17-oxapentacyclo[14.2.1.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadecan-7-one
7-hydroxy-2,4a,8,8a-tetramethyl-6-oxo-1,3,4,4b,5,9,10,10a-octahydrophenanthrene-2-carboxylic acid
9-hydroxy-6,10-dimethyl-3-methylidene-4-(2-methylpropoxy)-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-one
4-hydroxy-5a-methyl-3,9-dimethylidene-6-(2-methylpropoxy)-octahydronaphtho[1,2-b]furan-2-one
(1r,9r,10r,13s,14s)-13,14-dihydroxy-14-(hydroxymethyl)-5,10-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-4-en-15-one
(1s,4ar,5s,8ar)-5-(3-carboxy-3-methylprop-2-en-1-yl)-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
(4s,4as,5z,7r,8s)-8-(acetyloxy)-4,4a,6-trimethyl-3,4,7,8,9,10-hexahydro-2h-benzo[8]annulen-7-yl acetate
methyl 8-[(1r,5e)-1-hydroxy-4-oxo-5-[(2e)-pent-2-en-1-ylidene]cyclopent-2-en-1-yl]octanoate
5-hydroxy-2-methylidene-4-[(6z)-tetradec-6-enoyl]furan-3-one
(1e,3e)-4-(acetyloxy)-2-{2-[(1r)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl}buta-1,3-dien-1-yl acetate
(4r,5r,7r,9r,10r,13s,14r)-14-formyl-7-hydroxy-9-methyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid
(1r,5s,7s)-7-(acetyloxy)-2,8-dimethylidene-5-(prop-1-en-2-yl)cyclodecyl acetate
(4s,4as,7r,8s)-8-(acetyloxy)-4,4a,6-trimethyl-3,4,7,8,9,10-hexahydro-2h-benzo[8]annulen-7-yl acetate
5-[(1s,3ar,4s,5r,7ar)-1,4,5,7a-tetramethyl-2-oxo-hexahydroinden-4-yl]-3-methylidene-4-oxopentanoic acid
9,10-dihydroxyheptadec-1-en-11,13-diyn-8-yl acetate
5-[(1r,4s,4as,6s,8r,8ar)-6-(hydroxymethyl)-4-methoxy-2,8-dimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid
methyl 2-{4-acetyl-5,9-dimethyl-11-oxatetracyclo[7.3.1.0¹,⁶.0¹⁰,¹²]tridecan-5-yl}acetate
(4s,4as,7s,8s)-8-(acetyloxy)-4,4a,6-trimethyl-3,4,7,8,9,10-hexahydro-2h-benzo[8]annulen-7-yl acetate
4-(acetyloxy)-2-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethyl]buta-1,3-dien-1-yl acetate
(2s,4as,4br,8z,8as,10as)-8-(hydroxymethylidene)-2,4a,8a-trimethyl-7-oxo-octahydro-1h-phenanthrene-2-carboxylic acid
6,9,10-trimethyl-8-(2-methylpropoxy)-4,14-dioxatetracyclo[7.5.0.0¹,¹³.0³,⁷]tetradeca-3(7),5-dien-2-ol
(1e,3e)-4-(acetyloxy)-2-{2-[(1s)-2,6,6-trimethylcyclohex-2-en-1-yl]ethyl}buta-1,3-dien-1-yl acetate
10,11-dihydroxy-8,15,15-trimethyl-4-methylidenebicyclo[9.3.1]pentadec-7-ene-6,12-dione
(1r,4s,8r,9s,10r,13r,14s)-8-hydroxy-5,5,9,14-tetramethyl-7,15-dioxapentacyclo[11.3.1.0¹,¹⁰.0⁴,⁹.0¹⁴,¹⁶]heptadecan-6-one
2-hydroxy-15-oxo-18-nor-19-kauranoic acid
{"Ingredient_id": "HBIN005716","Ingredient_name": "2-hydroxy-15-oxo-18-nor-19-kauranoic acid","Alias": "NA","Ingredient_formula": "C19H28O4","Ingredient_Smile": "NA","Ingredient_weight": "320.42","OB_score": "NA","CAS_id": "51107-83-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8628","PubChem_id": "NA","DrugBank_id": "NA"}
3,16,18-trihydroxyandrost-5-en-17-one
{"Ingredient_id": "HBIN006938","Ingredient_name": "3,16,18-trihydroxyandrost-5-en-17-one","Alias": "NA","Ingredient_formula": "C19H28O4","Ingredient_Smile": "NA","Ingredient_weight": "320.42","OB_score": "NA","CAS_id": "85922-89-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8449","PubChem_id": "NA","DrugBank_id": "NA"}