Chemical Formula: C35H42O12
Chemical Formula C35H42O12
Found 40 metabolite its formula value is C35H42O12
3??,5??,8??,15??-Tetraacetoxy-7??-benzoyloxyjatropha-6(17),11E-dien-9,14-dione
3??,5??,8??,15??-Tetraacetoxy-7??-benzoyloxyjatropha-6(17),11E-dien-9,14-dione
13-deacetoxy-13,15-epoxy-11(15-->1)abeo-13-epi-baccatin VI|13-Deacetoxy-13,15-epoxy-11(15鈥樏傗垎1)-abeo-13-epi-baccatin VI
13-deacetoxy-13,15-epoxy-11(15-->1)abeo-13-epi-baccatin VI|13-Deacetoxy-13,15-epoxy-11(15鈥樏傗垎1)-abeo-13-epi-baccatin VI
15-O-acetylcheiradone|rel-(2aR,5S,5aS,6S,6aS,7R,8R,9aS,10aR,10bS)-5,7,9a-tris(acetyloxy)-5a-[(acetyloxy)methyl]-6-benzoyloxy-2,2a,5,5a,6,6a,7,8,9,9a,10a,10b-dodecahydro-2,2,8,10a-tetramethyl-10H-azuleno[5,6,7-cd]isobenzofuran-10-one
15-O-acetylcheiradone|rel-(2aR,5S,5aS,6S,6aS,7R,8R,9aS,10aR,10bS)-5,7,9a-tris(acetyloxy)-5a-[(acetyloxy)methyl]-6-benzoyloxy-2,2a,5,5a,6,6a,7,8,9,9a,10a,10b-dodecahydro-2,2,8,10a-tetramethyl-10H-azuleno[5,6,7-cd]isobenzofuran-10-one
(2S,3S,3aR,4R,4aR,5R,8S,8aR,9S,10aR)-3,5,10a-triacetoxy-4a-(acetoxymethyl)-9-hydroxy-2,9-dimethyl-8-(methylethenyl)-10-oxo-1,2,3,3a,4,4a,5,8,8a,9,10,10a-dodecahydrobenzo[f]-azulen-4-yl benzoate|3,7,15,17-O-tetraacetyl-5-O-benzoyl-13-hydroxymyrsinol|isodecipinone
(2S,3S,3aR,4R,4aR,5R,8S,8aR,9S,10aR)-3,5,10a-triacetoxy-4a-(acetoxymethyl)-9-hydroxy-2,9-dimethyl-8-(methylethenyl)-10-oxo-1,2,3,3a,4,4a,5,8,8a,9,10,10a-dodecahydrobenzo[f]-azulen-4-yl benzoate|3,7,15,17-O-tetraacetyl-5-O-benzoyl-13-hydroxymyrsinol|isodecipinone
(2S,3S,3aR,4R,4aR,5R,8S,8aR,9S,10aR)-3,5,9-triacetoxy-4a-(acetoxymethyl)-10a-hydroxy-2,9-dimethyl-8-(methylethenyl)-10-oxo-1,2,3,3a,4,4a,5,8,8a,9,10,10a-dodecahydrobenzo[f]-azulen-4-yl benzoate|decipinone
(2S,3S,3aR,4R,4aR,5R,8S,8aR,9S,10aR)-3,5,9-triacetoxy-4a-(acetoxymethyl)-10a-hydroxy-2,9-dimethyl-8-(methylethenyl)-10-oxo-1,2,3,3a,4,4a,5,8,8a,9,10,10a-dodecahydrobenzo[f]-azulen-4-yl benzoate|decipinone
13-deacetoxy-13,15-epoxy-11(15-1)-abeo-13-epi-baccatinvi
NA
{"Ingredient_id": "HBIN001159","Ingredient_name": "13-deacetoxy-13,15-epoxy-11(15-1)-abeo-13-epi-baccatinvi","Alias": "NA","Ingredient_formula": "C35H42O12","Ingredient_Smile": "CC1=C2C(C(C3(C(CC4C(C3C(C25CC1OC5(C)C)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "26040","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
13-deacetoxy-13,15-epoxy-11(15→1)-abeo-13-epi-baccatin vi
NA
{"Ingredient_id": "HBIN001160","Ingredient_name": "13-deacetoxy-13,15-epoxy-11(15\u21921)-abeo-13-epi-baccatin vi","Alias": "NA","Ingredient_formula": "C35H42O12","Ingredient_Smile": "CC1=C2C(C(C3(C(CC4C(C3C(C25CC1OC5(C)C)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4705","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,4r,5r,10r,12s,14r,15s,16r,18r,19s,20r,22s)-12-ethyl-5-(furan-3-yl)-15,16-dihydroxy-19-(2-methoxy-2-oxoethyl)-4,18,20-trimethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.1¹⁵,¹⁸.0¹,¹⁰.0⁴,⁹.0¹⁰,¹⁴.0¹⁶,²⁰]docos-8-en-22-yl (2e)-2-methylbut-2-enoate
(1s,4r,5r,10r,12s,14r,15s,16r,18r,19s,20r,22s)-12-ethyl-5-(furan-3-yl)-15,16-dihydroxy-19-(2-methoxy-2-oxoethyl)-4,18,20-trimethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.1¹⁵,¹⁸.0¹,¹⁰.0⁴,⁹.0¹⁰,¹⁴.0¹⁶,²⁰]docos-8-en-22-yl (2e)-2-methylbut-2-enoate
2,4,9,11-tetrakis(acetyloxy)-10,14,17,17-tetramethyl-6,16-dioxapentacyclo[13.2.1.0¹,¹³.0³,¹⁰.0⁴,⁷]octadec-13-en-12-yl benzoate
2,4,9,11-tetrakis(acetyloxy)-10,14,17,17-tetramethyl-6,16-dioxapentacyclo[13.2.1.0¹,¹³.0³,¹⁰.0⁴,⁷]octadec-13-en-12-yl benzoate
(1r,2r,3r,4s,5s,7r,9s,12s,15r,16r)-2,4,7-tris(acetyloxy)-1-[(acetyloxy)methyl]-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.0³,⁷.0¹²,¹⁶]hexadec-13-en-15-yl benzoate
(1r,2r,3r,4s,5s,7r,9s,12s,15r,16r)-2,4,7-tris(acetyloxy)-1-[(acetyloxy)methyl]-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.0³,⁷.0¹²,¹⁶]hexadec-13-en-15-yl benzoate
(4r,5r,14r,16r,18r,19s,20r,22s)-12-ethyl-5-(furan-3-yl)-15,16-dihydroxy-19-(2-methoxy-2-oxoethyl)-4,18,20-trimethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.1¹⁵,¹⁸.0¹,¹⁰.0⁴,⁹.0¹⁰,¹⁴.0¹⁶,²⁰]docos-8-en-22-yl (2e)-2-methylbut-2-enoate
(4r,5r,14r,16r,18r,19s,20r,22s)-12-ethyl-5-(furan-3-yl)-15,16-dihydroxy-19-(2-methoxy-2-oxoethyl)-4,18,20-trimethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.1¹⁵,¹⁸.0¹,¹⁰.0⁴,⁹.0¹⁰,¹⁴.0¹⁶,²⁰]docos-8-en-22-yl (2e)-2-methylbut-2-enoate
3,4,6,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-1h,2h,3h,3ah,4h,6h,7h,12h-cyclopenta[12]annulen-7-yl benzoate
3,4,6,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-1h,2h,3h,3ah,4h,6h,7h,12h-cyclopenta[12]annulen-7-yl benzoate
(1r,2r,3r,4s,5s,7r,9s,10r,11s,12r,13s,15r)-2,4,7-tris(acetyloxy)-12-[(acetyloxy)methyl]-5,9,12-trimethyl-8-oxo-17-oxapentacyclo[7.6.2.0¹,¹⁰.0³,⁷.0¹¹,¹³]heptadecan-15-yl benzoate
(1r,2r,3r,4s,5s,7r,9s,10r,11s,12r,13s,15r)-2,4,7-tris(acetyloxy)-12-[(acetyloxy)methyl]-5,9,12-trimethyl-8-oxo-17-oxapentacyclo[7.6.2.0¹,¹⁰.0³,⁷.0¹¹,¹³]heptadecan-15-yl benzoate
(1s,2s,3s,4r,5r,7s,9r,12r,15s,16s)-4,7,15-tris(acetyloxy)-1-[(acetyloxy)methyl]-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.0³,⁷.0¹²,¹⁶]hexadec-13-en-2-yl benzoate
(1s,2s,3s,4r,5r,7s,9r,12r,15s,16s)-4,7,15-tris(acetyloxy)-1-[(acetyloxy)methyl]-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.0³,⁷.0¹²,¹⁶]hexadec-13-en-2-yl benzoate
3,5,9,10a-tetrakis(acetyloxy)-4a-(hydroxymethyl)-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl benzoate
3,5,9,10a-tetrakis(acetyloxy)-4a-(hydroxymethyl)-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl benzoate
(2s,3s,3ar,4r,6s,7r,12r,13ar)-3,4,6,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-1h,2h,3h,3ah,4h,6h,7h,12h-cyclopenta[12]annulen-7-yl benzoate
(2s,3s,3ar,4r,6s,7r,12r,13ar)-3,4,6,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-1h,2h,3h,3ah,4h,6h,7h,12h-cyclopenta[12]annulen-7-yl benzoate
12-ethyl-5-(furan-3-yl)-15,16-dihydroxy-19-(2-methoxy-2-oxoethyl)-4,18,20-trimethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.1¹⁵,¹⁸.0¹,¹⁰.0⁴,⁹.0¹⁰,¹⁴.0¹⁶,²⁰]docos-8-en-22-yl 2-methylbut-2-enoate
12-ethyl-5-(furan-3-yl)-15,16-dihydroxy-19-(2-methoxy-2-oxoethyl)-4,18,20-trimethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.1¹⁵,¹⁸.0¹,¹⁰.0⁴,⁹.0¹⁰,¹⁴.0¹⁶,²⁰]docos-8-en-22-yl 2-methylbut-2-enoate
2,4,7-tris(acetyloxy)-1-[(acetyloxy)methyl]-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.0³,⁷.0¹²,¹⁶]hexadec-13-en-15-yl benzoate
2,4,7-tris(acetyloxy)-1-[(acetyloxy)methyl]-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.0³,⁷.0¹²,¹⁶]hexadec-13-en-15-yl benzoate
(2s,3s,3ar,4r,4ar,5r,8s,8ar,9s,10ar)-3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl benzoate
(2s,3s,3ar,4r,4ar,5r,8s,8ar,9s,10ar)-3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl benzoate
(2s,3s,3ar,4r,6s,7r,12s,13ar)-3,4,7,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-1h,2h,3h,3ah,4h,6h,7h,12h-cyclopenta[12]annulen-6-yl benzoate
(2s,3s,3ar,4r,6s,7r,12s,13ar)-3,4,7,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-1h,2h,3h,3ah,4h,6h,7h,12h-cyclopenta[12]annulen-6-yl benzoate
(2s,3s,3ar,4r,4ar,5r,8s,8ar,9s,10ar)-3,5,9,10a-tetrakis(acetyloxy)-4a-(hydroxymethyl)-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl benzoate
(2s,3s,3ar,4r,4ar,5r,8s,8ar,9s,10ar)-3,5,9,10a-tetrakis(acetyloxy)-4a-(hydroxymethyl)-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl benzoate
(2s,3ar,7r,12s)-3,4,6,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-1h,2h,3h,3ah,4h,6h,7h,12h-cyclopenta[12]annulen-7-yl benzoate
(2s,3ar,7r,12s)-3,4,6,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-1h,2h,3h,3ah,4h,6h,7h,12h-cyclopenta[12]annulen-7-yl benzoate
4,7,15-tris(acetyloxy)-1-[(acetyloxy)methyl]-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.0³,⁷.0¹²,¹⁶]hexadec-13-en-2-yl benzoate
4,7,15-tris(acetyloxy)-1-[(acetyloxy)methyl]-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.0³,⁷.0¹²,¹⁶]hexadec-13-en-2-yl benzoate
3,4,7,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-1h,2h,3h,3ah,4h,6h,7h,12h-cyclopenta[12]annulen-6-yl benzoate
3,4,7,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-1h,2h,3h,3ah,4h,6h,7h,12h-cyclopenta[12]annulen-6-yl benzoate
2-butanoyl-6-({3-butanoyl-5-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl}methyl)-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
2-butanoyl-6-({3-butanoyl-5-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl}methyl)-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
2-butanoyl-6-({3-butanoyl-5-[(3-butanoyl-2,4-dihydroxy-6-methoxyphenyl)methyl]-2,4,6-trihydroxyphenyl}methyl)-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
2-butanoyl-6-({3-butanoyl-5-[(3-butanoyl-2,4-dihydroxy-6-methoxyphenyl)methyl]-2,4,6-trihydroxyphenyl}methyl)-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
(1r,2r,3r,4s,5s,7r,9r,10r,11s,12r,13s,15r)-2,4,7-tris(acetyloxy)-12-[(acetyloxy)methyl]-5,9,12-trimethyl-8-oxo-17-oxapentacyclo[7.6.2.0¹,¹⁰.0³,⁷.0¹¹,¹³]heptadecan-15-yl benzoate
(1r,2r,3r,4s,5s,7r,9r,10r,11s,12r,13s,15r)-2,4,7-tris(acetyloxy)-12-[(acetyloxy)methyl]-5,9,12-trimethyl-8-oxo-17-oxapentacyclo[7.6.2.0¹,¹⁰.0³,⁷.0¹¹,¹³]heptadecan-15-yl benzoate
3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl benzoate
3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl benzoate
(1s,2s,3r,4s,7r,9s,10s,11r,12r,15r)-2,4,9,11-tetrakis(acetyloxy)-10,14,17,17-tetramethyl-6,16-dioxapentacyclo[13.2.1.0¹,¹³.0³,¹⁰.0⁴,⁷]octadec-13-en-12-yl benzoate
(1s,2s,3r,4s,7r,9s,10s,11r,12r,15r)-2,4,9,11-tetrakis(acetyloxy)-10,14,17,17-tetramethyl-6,16-dioxapentacyclo[13.2.1.0¹,¹³.0³,¹⁰.0⁴,⁷]octadec-13-en-12-yl benzoate