Chemical Formula: C28H40O3
Chemical Formula C28H40O3
Found 79 metabolite its formula value is C28H40O3
17-Estradiol cyclooctyl acetate
9(11)-dehydroaxinysterol
A 3beta-sterol having a 5alpha-ergostane skeleton with double bonds at C-6, C-9(11), C-22 and C-25 and a peroxy group between positions 5 and 8. An antineoplastic agent isolated from Okinawan sponge of the genus Axinyssa.
1-(1-methylethyl)-4-methyl-3-cyclohexenyl 3,5-bis(2-methyl-2-butenyl)-4-methoxybenzoate
(3beta)-3-hydroxy-24,30-dinoroleana-4(23),12,20(29)-trien-28-oic acid|paeonenoide B
2,8-Dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-5-formyl-chroman-6-ol|2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-5-formylchroman-6-ol|5-formyl-delta-tocotrienol
3-hydroxy-24,28-dinor-18beta-olean-3,12-diene-2,16-dione|remangilone D
(22E)-3beta-hydroxy-14beta-ergosta-5,8,22-trien-7,15-dione
(22E)-3beta-hydroxyergosta-5,8(14),22-trien-7,15-one
9alpha,11alpha-dihydroxyergosta-4,6,8(14),22-tetraen-3-one
An ergostanoid that is ergosta-4,6,8(14),22-tetraene substituted by hydroxy groups at positions 9 and 11 and an oxo group at position 3. Isolated from a myxobacterial strain Sorangiineae, it exhibits activity against colon adinocarcinoma cells.
12beta-acetoxy-24-norcholesta-1,4,22-trien-3-one|24-Norcholesta-1,4,22,trien-12beta-acetoxy-3-one
2,8-Dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-7-formyl-chroman-6-ol
(5Z,7E,22E,24E,26E)-(1S,3R)-26a,26b-dihomo-27-nor-9,10-seco-5,7,10(19),22,24,26(26a)-cholestahexaene-1,3,26b-triol
(22E,24E,26E)-1alpha,26b-dihydroxy-22,23,24,25,26,26a-hexadehydro-26a,26b-dihomo-27-norvitamin D3
(2r,4r,6r,7r,10r,11r,16r)-6-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-1(18)-ene-14,17-dione
(4ar,4br,6ar,7r,10ar)-7-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-4a,6a-dimethyl-3h,4h,4bh,5h,6h,7h,8h,9h,11h-indeno[1,7a-a]naphthalene-2,10,12-trione
1-{2-[2-(5,6-dimethylhept-3-en-2-yl)-1-methyl-5-oxocyclopentyl]ethyl}-8a-methyl-7,8-dihydro-1h-naphthalene-2,6-dione
(1r,3ar,7s,9as,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-7-hydroxy-9a,11a-dimethyl-1h,2h,3ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthrene-3,4-dione
(4ar,6ar,6bs,8as,12ar,14ar,14br)-3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,4a,5,6,7,8a,9,10,12,12a,14,14a-dodecahydropicene-2,8-dione
12-(2-hydroxy-3,5-dimethylphenyl)-6,10-dimethyl-2-(4-methylpent-3-en-1-yl)dodeca-2,6,10-trienoic acid
(1s,3r,6r,7r,10r,11r)-6-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadec-15-ene-14,17-dione
1-(furan-3-yl)-3b,6,6,9a,11a-pentamethyl-1h,2h,3h,3ah,4h,5h,5ah,7h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
2,8-dimethyl-2-[(3 e,7 e)-4,8,12-trimethyltrideca-3,7,11-trienyl]-5-formyl-chroman-6-ol
{"Ingredient_id": "HBIN005054","Ingredient_name": "2,8-dimethyl-2-[(3 e,7 e)-4,8,12-trimethyltrideca-3,7,11-trienyl]-5-formyl-chroman-6-ol","Alias": "NA","Ingredient_formula": "C28H40O3","Ingredient_Smile": "CC1=CC(=C(C2=C1OC(CC2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6414","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,8-dimethyl-2-[(3 e,7 e)-4,8,12-trimethyltrideca-3,7,11-trienyl]-7-formyl-chroman-6-ol
{"Ingredient_id": "HBIN005055","Ingredient_name": "2,8-dimethyl-2-[(3 e,7 e)-4,8,12-trimethyltrideca-3,7,11-trienyl]-7-formyl-chroman-6-ol","Alias": "NA","Ingredient_formula": "C28H40O3","Ingredient_Smile": "CC1=C2C(=CC(=C1C=O)O)CCC(O2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6415","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-(5,6-dimethylhept-3-en-2-yl)-4a,6a-dimethyl-3h,4h,4bh,5h,6h,7h,8h,9h,11h-indeno[1,7a-a]naphthalene-2,10,12-trione
(2r,5r,6r,9s,17r)-5-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-14,17-dihydroxy-6,9-dimethyltetracyclo[7.7.1.0²,⁶.0¹³,¹⁷]heptadeca-1(16),11,13-trien-15-one
1-isopropyl-4-methylcyclohex-3-en-1-yl 4-methoxy-3,5-bis(3-methylbut-2-en-1-yl)benzoate
(1r,8ar)-1-{2-[(1r,2r)-2-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-1-methyl-5-oxocyclopentyl]ethyl}-8a-methyl-7,8-dihydro-1h-naphthalene-2,6-dione
(1r,3s,9as,9bs,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-3,9b-dihydroxy-9a,11a-dimethyl-1h,2h,3h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one
1-(5,6-dimethylhept-3-en-2-yl)-7-hydroxy-9a,11a-dimethyl-1h,2h,3ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthrene-3,4-dione
(4ar,4br,6ar,7r,10ar)-7-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-4a,6a-dimethyl-3h,4h,4bh,5h,6h,7h,8h,9h,11h-indeno[1,7a-a]naphthalene-2,10,12-trione
(1s,2r,12r,15r,16r)-15-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxatetracyclo[9.7.0.0²,⁷.0¹²,¹⁶]octadeca-6,10-diene-5,9-dione
15-(5,6-dimethylhept-3-en-2-yl)-10,14-dimethyl-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-5-ene-4,7-dione
(1s,2r,12r,15r,16r)-15-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxatetracyclo[9.7.0.0²,⁷.0¹²,¹⁶]octadeca-6,10-diene-5,9-dione
(2r,4r,6r,7r,10r,11r,16r)-6-[(2s,3e,5r)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-1(18)-ene-14,17-dione
(1s,3r,6r,7r,10r,11r)-6-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadec-15-ene-14,17-dione
15-(5,6-dimethylhept-3-en-2-yl)-2,16-dimethyl-8-oxatetracyclo[9.7.0.0²,⁷.0¹²,¹⁶]octadeca-6,10-diene-5,9-dione
3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,4a,5,6,7,8a,9,10,12,12a,14,14a-dodecahydropicene-2,8-dione
(1r,3as,3br,9ar,9bs,11r,11ar)-9a,11a-dimethyl-1-[(2s,3e)-5-methylhex-3-en-2-yl]-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl acetate
10-hydroxy-6a,6b,12a-trimethyl-2,9-dimethylidene-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
(1r,7s,9ar,9br,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-7-hydroxy-9a,11a-dimethyl-1h,2h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-3,4-dione
(4as,6as,6br,8ar,10s,12ar,12br,14bs)-10-hydroxy-6a,6b,12a-trimethyl-2,9-dimethylidene-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
(1r)-1-isopropyl-4-methylcyclohex-3-en-1-yl 4-methoxy-3,5-bis(3-methylbut-2-en-1-yl)benzoate
methyl 6-{9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoate
(2e,6e,10e)-12-(2-hydroxy-3,5-dimethylphenyl)-6,10-dimethyl-2-(4-methylpent-3-en-1-yl)dodeca-2,6,10-trienoic acid
9a,11a-dimethyl-1-(5-methylhex-3-en-2-yl)-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl acetate
2-(11-methoxy-3,7,11,15-tetramethylhexadeca-2,6,9,14-tetraen-1-yl)-6-methylcyclohexa-2,5-diene-1,4-dione
1-(5,6-dimethylhept-3-en-2-yl)-7-hydroxy-9a,11a-dimethyl-1h,2h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-3,4-dione
(6r)-6-[(1s)-1-[(1r,3as,3bs,9ar,9bs,11as)-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethyl]-3,4-dimethyl-5,6-dihydropyran-2-one
2-[(2e,6e,9s,10e)-9-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-6-methylcyclohexa-2,5-diene-1,4-dione
methyl (2e,6r)-6-[(1r,3as,3bs,9ar,9bs,11ar)-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoate
(1s,3ar,3bs,4r,5as,9as,9br,11ar)-1-(furan-3-yl)-3b,6,6,9a,11a-pentamethyl-1h,2h,3h,3ah,4h,5h,5ah,7h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
2-[(2e,6e,9e,11r)-11-methoxy-3,7,11,15-tetramethylhexadeca-2,6,9,14-tetraen-1-yl]-6-methylcyclohexa-2,5-diene-1,4-dione
(4ar,4br,6ar,7r,10ar)-7-[(2s,3e,5r)-5,6-dimethylhept-3-en-2-yl]-4a,6a-dimethyl-3h,4h,4bh,5h,6h,7h,8h,9h,11h-indeno[1,7a-a]naphthalene-2,10,12-trione
2-(9-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)-6-methylcyclohexa-2,5-diene-1,4-dione
(1s,2r,12r,15r,16r)-15-[(2s,3e,5s)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxatetracyclo[9.7.0.0²,⁷.0¹²,¹⁶]octadeca-6,10-diene-5,9-dione
6-(5,6-dimethylhept-3-en-2-yl)-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadec-15-ene-14,17-dione
5-(5,6-dimethylhept-3-en-2-yl)-14,17-dihydroxy-6,9-dimethyltetracyclo[7.7.1.0²,⁶.0¹³,¹⁷]heptadeca-1(16),11,13-trien-15-one
(1r,3as,3br,9as,9bs,11as)-9a-methyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthrene-11a-carboxylic acid
6-(5,6-dimethylhept-3-en-2-yl)-7,11-dimethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-1(18)-ene-14,17-dione
(1r,3r,10r,11r,14r,15r,18r)-15-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-10,14-dimethyl-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-5-ene-4,7-dione
MG(P-25:8)
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