Chemical Formula: C29H44O2
Chemical Formula C29H44O2
Found 76 metabolite its formula value is C29H44O2
alpha-Tocotrienol
(2R)-2,5,7,8-Tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol
alpha-Tocotrienol (CAS: 1721-51-3), also known as 5,7,8-trimethyltocotrienol, belongs to the class of organic compounds known as tocotrienols. These are vitamin E derivatives containing an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain attached to the carbon C6 atom of a benzopyran ring system. They differ from tocopherols that contain a saturated trimethyltridecyl chain. Thus, alpha-tocotrienol is considered to be a quinone lipid molecule. alpha-Tocotrienol is found in the blood plasma and all lipoprotein subfractions. Compared to tocopherols, alpha-tocotrienols are poorly studied. Its presence in the blood plasma at nanomolar concentrations is thought to help to prevent stroke-related neurodegeneration (PMID: 16771695). alpha-Tocotrienol has been found to have vitamin E activity. D020011 - Protective Agents > D000975 - Antioxidants > D024508 - Tocotrienols Acquisition and generation of the data is financially supported in part by CREST/JST.
(22E,24R)-Stigmasta-4,22-diene-3,6-dione
14-[(3E)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-5,8-dione
(22E,24R)-Stigmasta-4,22-diene-3,6-dione is found in fruits. (22E,24R)-Stigmasta-4,22-diene-3,6-dione is isolated from Glycine max (soybean) and Pistia stratiotes (date). Isolated from Glycine max (soybean) and Pistia stratiotes (date). (22E,24R)-Stigmasta-4,22-diene-3,6-dione is found in soy bean, pulses, and fruits.
(2R)-2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol
2,5,7,8-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trien-1-yl)-3,4-dihydro-2H-1-benzopyran-6-ol
Stigmast-4,22-diene-3,6-dione
(2R,15R)-14-[(2R,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-5,8-dione
Stigmast-4,22-diene-3,6-dione is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Stigmast-4,22-diene-3,6-dione can be found in date, which makes stigmast-4,22-diene-3,6-dione a potential biomarker for the consumption of this food product.
3beta-hydroxy-28-norolean-12,17-dien-16-one|3beta-hydroxy-28-noroleana-12,17-dien-16-one|Maragenin II
3beta-hydroxy-28-norolean-12,17-dien-16-one|3beta-hydroxy-28-noroleana-12,17-dien-16-one|Maragenin II
1(10 -> 6)abeo-ergosta-5,7,9,22-tetraen-11alpha-methoxy-3alpha-ol|citreoandrasteroid|Citreoanthrasteroid
1(10 -> 6)abeo-ergosta-5,7,9,22-tetraen-11alpha-methoxy-3alpha-ol|citreoandrasteroid|Citreoanthrasteroid
22beta-form-22-Hydroxy-29-nor-2,4(23)-friedeladien-21-one
22beta-form-22-Hydroxy-29-nor-2,4(23)-friedeladien-21-one
6-Ketone-6beta-6-Hydroxystigmasta-4,24-dien-3-one|stigmasta-4,24(25)-dien-3,6-dione
6-Ketone-6beta-6-Hydroxystigmasta-4,24-dien-3-one|stigmasta-4,24(25)-dien-3,6-dione
(20R,22E,24R)-3beta-hydroxystigmasta-5,22,25-trien-7-one|stigmasta-5,22,25-trien-7-on-3beta-ol
(20R,22E,24R)-3beta-hydroxystigmasta-5,22,25-trien-7-one|stigmasta-5,22,25-trien-7-on-3beta-ol
(24R)-3-hydroxy-9,10-secostigmasta-1,3,5(10),22-tetraen-9-one|sibogol B
(24R)-3-hydroxy-9,10-secostigmasta-1,3,5(10),22-tetraen-9-one|sibogol B
(20R,22E,24R)-6beta-hydroxystigmasta-4,22,25-trien-3-one
(20R,22E,24R)-6beta-hydroxystigmasta-4,22,25-trien-3-one
α-tocotrienol
2R,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol
A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 5, 7 and 8 and a farnesyl chain at position 2. It has been found in palm oil derived from Elaeis guineensis. D020011 - Protective Agents > D000975 - Antioxidants > D024508 - Tocotrienols
(22E,24R)-Stigmasta-4,22-diene-3,6-dione
14-[(3E)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,8-dione
2,2-Methylenebis[4,6-bis(2-methyl-2-propanyl)phenol]
2,2-Methylenebis[4,6-bis(2-methyl-2-propanyl)phenol]
(2r,4s,4ar,6ar,6br,8as,12as,12br,14ar,14br)-4-hydroxy-2,4a,6a,8a,12b,14a-hexamethyl-9-methylidene-2,4,5,6,6b,7,8,12,12a,13,14,14b-dodecahydro-1h-picen-3-one
(2r,4s,4ar,6ar,6br,8as,12as,12br,14ar,14br)-4-hydroxy-2,4a,6a,8a,12b,14a-hexamethyl-9-methylidene-2,4,5,6,6b,7,8,12,12a,13,14,14b-dodecahydro-1h-picen-3-one
(6as)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,6,7,8,8a,10,11,12,12b,13-dodecahydropicen-5-one
(6as)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,6,7,8,8a,10,11,12,12b,13-dodecahydropicen-5-one
4-hydroxy-2,4a,6a,8a,12b,14a-hexamethyl-9-methylidene-2,4,5,6,6b,7,8,12,12a,13,14,14b-dodecahydro-1h-picen-3-one
4-hydroxy-2,4a,6a,8a,12b,14a-hexamethyl-9-methylidene-2,4,5,6,6b,7,8,12,12a,13,14,14b-dodecahydro-1h-picen-3-one
25-Nor-5(10)-dehydroisokarounidiol
(3R,6aS,6bS,8aS,11R,12aR)-4,4,6a,6b,8a,11-hexamethyl-11-methylol-2,3,7,8,9,10,12,12a,13,14-decahydro-1H-picen-3-ol; (3R,6aS,6bS,8aS,11R,12aR)-11-(hydroxymethyl)-4,4,6a,6b,8a,11-hexamethyl-2,3,7,8,9,10,12,12a,13,14-decahydro-1H-picen-3-ol; AIDS-113416; AIDS113416; (3R,6bS,8aS,11R,12aR,12bS)-11-Hydroxymethyl-4,4,6b,8a,11,12b-hexamethyl-1,2,3,4,6b,7,8,8a,9,10,11,12,12a,12b,13,14-hexadecahydro-picen-3-ol
{"Ingredient_id": "HBIN004692","Ingredient_name": "25-Nor-5(10)-dehydroisokarounidiol","Alias": "(3R,6aS,6bS,8aS,11R,12aR)-4,4,6a,6b,8a,11-hexamethyl-11-methylol-2,3,7,8,9,10,12,12a,13,14-decahydro-1H-picen-3-ol; (3R,6aS,6bS,8aS,11R,12aR)-11-(hydroxymethyl)-4,4,6a,6b,8a,11-hexamethyl-2,3,7,8,9,10,12,12a,13,14-decahydro-1H-picen-3-ol; AIDS-113416; AIDS113416; (3R,6bS,8aS,11R,12aR,12bS)-11-Hydroxymethyl-4,4,6b,8a,11,12b-hexamethyl-1,2,3,4,6b,7,8,8a,9,10,11,12,12a,12b,13,14-hexadecahydro-picen-3-ol","Ingredient_formula": "C29H44O2","Ingredient_Smile": "CC1(C(CCC2=C1C=CC3=C2CCC4(C3(CCC5(C4CC(CC5)(C)CO)C)C)C)O)C","Ingredient_weight": "424.7 g/mol","OB_score": "20.65665518","CAS_id": "NA","SymMap_id": "SMIT13130","TCMID_id": "NA","TCMSP_id": "MOL012370","TCM_ID_id": "NA","PubChem_id": "489922","DrugBank_id": "NA"}
(1s,3r,9r,12s,13s,16r,17r)-13,17-dimethyl-16-[(2r)-6-methylhept-5-en-2-yl]-8-methylidene-7-oxapentacyclo[10.7.0.0¹,³.0³,⁹.0¹³,¹⁷]nonadecan-6-one
(1s,3r,9r,12s,13s,16r,17r)-13,17-dimethyl-16-[(2r)-6-methylhept-5-en-2-yl]-8-methylidene-7-oxapentacyclo[10.7.0.0¹,³.0³,⁹.0¹³,¹⁷]nonadecan-6-one
(1r,3ar,7s,9as,11ar)-1-[(2r,3e,5s)-5-ethyl-6-methylhept-3-en-2-yl]-7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one
(1r,3ar,7s,9as,11ar)-1-[(2r,3e,5s)-5-ethyl-6-methylhept-3-en-2-yl]-7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one
(1s,5as,5br,7ar,9s,11ar,11bs)-9-hydroxy-1-isopropyl-5a,5b,8,8,11a-pentamethyl-1h,2h,3h,5h,6h,7h,7ah,9h,10h,11h,11bh,12h-cyclopenta[a]chrysen-4-one
(1s,5as,5br,7ar,9s,11ar,11bs)-9-hydroxy-1-isopropyl-5a,5b,8,8,11a-pentamethyl-1h,2h,3h,5h,6h,7h,7ah,9h,10h,11h,11bh,12h-cyclopenta[a]chrysen-4-one
(2r)-6-methoxy-2,5,8-trimethyl-2-[(3e,7e)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-1-benzopyran
(2r)-6-methoxy-2,5,8-trimethyl-2-[(3e,7e)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-1-benzopyran
6,9a,11a-trimethyl-1-(6-methyl-5-methylideneheptan-2-yl)-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthrene-7,10-dione
6,9a,11a-trimethyl-1-(6-methyl-5-methylideneheptan-2-yl)-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthrene-7,10-dione
(1r,3ar,5ar,8e,9ar,9bs,11ar)-8-ethylidene-3a,6,6,9a,11a-pentamethyl-1-[(2r)-4-oxopentan-2-yl]-1h,2h,3h,5h,5ah,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(1r,3ar,5ar,8e,9ar,9bs,11ar)-8-ethylidene-3a,6,6,9a,11a-pentamethyl-1-[(2r)-4-oxopentan-2-yl]-1h,2h,3h,5h,5ah,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(1r,3as,3bs,9ar,9bs,11ar)-1-[(2r,5e)-5-isopropylhept-5-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-5,7-dione
(1r,3as,3bs,9ar,9bs,11ar)-1-[(2r,5e)-5-isopropylhept-5-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-5,7-dione
(2r)-6-methoxy-2,7,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trien-1-yl)-3,4-dihydro-1-benzopyran
(2r)-6-methoxy-2,7,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trien-1-yl)-3,4-dihydro-1-benzopyran
(1r,3as,3bs,9ar,9bs,11ar)-1-[(2r,3e,5s)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-5,7-dione
(1r,3as,3bs,9ar,9bs,11ar)-1-[(2r,3e,5s)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-5,7-dione
(1s,3r,8r,11s,12s,15r,16r)-7,7,12,16-tetramethyl-15-[(2r,4e)-6-oxohept-4-en-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one
(1s,3r,8r,11s,12s,15r,16r)-7,7,12,16-tetramethyl-15-[(2r,4e)-6-oxohept-4-en-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one
10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,6,7,8,8a,10,11,12,12b,13-dodecahydropicen-5-one
10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,6,7,8,8a,10,11,12,12b,13-dodecahydropicen-5-one
1-(5-isopropylhept-5-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-5,7-dione
1-(5-isopropylhept-5-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-5,7-dione
3a,6,9a,11a-tetramethyl-1-(6-methyl-3-oxohept-5-en-2-yl)-1h,2h,3h,4h,5h,5ah,6h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one
3a,6,9a,11a-tetramethyl-1-(6-methyl-3-oxohept-5-en-2-yl)-1h,2h,3h,4h,5h,5ah,6h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one
(1r,3ar,5ar,6s,9as,11ar)-3a,6,9a,11a-tetramethyl-1-[(2s)-6-methyl-3-oxohept-5-en-2-yl]-1h,2h,3h,4h,5h,5ah,6h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one
(1r,3ar,5ar,6s,9as,11ar)-3a,6,9a,11a-tetramethyl-1-[(2s)-6-methyl-3-oxohept-5-en-2-yl]-1h,2h,3h,4h,5h,5ah,6h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one
1-(5-ethyl-6-methylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-5,7-dione
1-(5-ethyl-6-methylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-5,7-dione
(9ar,11ar)-1-[(2r,5e)-5-isopropylhept-5-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-5,7-dione
(9ar,11ar)-1-[(2r,5e)-5-isopropylhept-5-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-5,7-dione
9a,11a-dimethyl-1-(6-methylhept-5-en-2-yl)-1h,2h,3h,3ah,4h,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl acetate
9a,11a-dimethyl-1-(6-methylhept-5-en-2-yl)-1h,2h,3h,3ah,4h,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl acetate
(1s,5as,5br,7ar,9s,11ar,11br)-9-hydroxy-1-isopropyl-5a,5b,8,8,11a-pentamethyl-1h,2h,3h,5h,6h,7h,7ah,9h,10h,11h,11bh,12h-cyclopenta[a]chrysen-4-one
(1s,5as,5br,7ar,9s,11ar,11br)-9-hydroxy-1-isopropyl-5a,5b,8,8,11a-pentamethyl-1h,2h,3h,5h,6h,7h,7ah,9h,10h,11h,11bh,12h-cyclopenta[a]chrysen-4-one
(2r)-6-methoxy-2,7,8-trimethyl-2-[(3e,7e)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-1-benzopyran
(2r)-6-methoxy-2,7,8-trimethyl-2-[(3e,7e)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-1-benzopyran
(6as,6br,8ar,10s,12ar,12br)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,6,7,8,8a,10,11,12,12b,13-dodecahydropicen-5-one
(6as,6br,8ar,10s,12ar,12br)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,6,7,8,8a,10,11,12,12b,13-dodecahydropicen-5-one
(1r,3ar,7s,9as,11ar)-9a,11a-dimethyl-1-[(2r)-6-methylhept-5-en-2-yl]-1h,2h,3h,3ah,4h,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl acetate
(1r,3ar,7s,9as,11ar)-9a,11a-dimethyl-1-[(2r)-6-methylhept-5-en-2-yl]-1h,2h,3h,3ah,4h,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl acetate
(1r,3ar,7s,9as,11ar)-7-hydroxy-9a,11a-dimethyl-1-[(2r,5r)-5-[(1r,2r)-2-methylcyclopropyl]hexan-2-yl]-1h,2h,3h,3ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one
(1r,3ar,7s,9as,11ar)-7-hydroxy-9a,11a-dimethyl-1-[(2r,5r)-5-[(1r,2r)-2-methylcyclopropyl]hexan-2-yl]-1h,2h,3h,3ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one
(2r)-2,5,7,8-tetramethyl-2-[(7e)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-1-benzopyran-6-ol
(2r)-2,5,7,8-tetramethyl-2-[(7e)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-1-benzopyran-6-ol
7,12,16-trimethyl-15-(6-methyl-4-oxohept-5-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one
7,12,16-trimethyl-15-(6-methyl-4-oxohept-5-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one
(2r)-6-methoxy-2,5,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trien-1-yl)-3,4-dihydro-1-benzopyran
(2r)-6-methoxy-2,5,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trien-1-yl)-3,4-dihydro-1-benzopyran
8-ethylidene-3a,6,6,9a,11a-pentamethyl-1-(4-oxopentan-2-yl)-1h,2h,3h,5h,5ah,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
8-ethylidene-3a,6,6,9a,11a-pentamethyl-1-(4-oxopentan-2-yl)-1h,2h,3h,5h,5ah,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
7,7,12,16-tetramethyl-15-(6-oxohept-4-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one
7,7,12,16-tetramethyl-15-(6-oxohept-4-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one
9-hydroxy-1-isopropyl-5a,5b,8,8,11a-pentamethyl-1h,2h,3h,5h,6h,7h,7ah,9h,10h,11h,11bh,12h-cyclopenta[a]chrysen-4-one
9-hydroxy-1-isopropyl-5a,5b,8,8,11a-pentamethyl-1h,2h,3h,5h,6h,7h,7ah,9h,10h,11h,11bh,12h-cyclopenta[a]chrysen-4-one
1-(5-ethyl-6-methylhept-3-en-2-yl)-7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one
1-(5-ethyl-6-methylhept-3-en-2-yl)-7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one
(1s,3r,7r,8r,11s,12s,15r,16r)-7,12,16-trimethyl-15-[(2r)-6-methyl-4-oxohept-5-en-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one
(1s,3r,7r,8r,11s,12s,15r,16r)-7,12,16-trimethyl-15-[(2r)-6-methyl-4-oxohept-5-en-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one