Chemical Formula: C32H42O12
Chemical Formula C32H42O12
Found 32 metabolite its formula value is C32H42O12
Bryotoxin A
[2-[[10-formyl-5,11,14-trihydroxy-13-methyl-12-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-6-methyloxan-4-yl] acetate
A bufadienolide glycoside that is 3,5,11,14-tetrahydroxy-12,19-dioxobufa-20,22-dienolide attached to a 3-O-acetyl-4,6-dideoxy-beta-D-arabino-hexopyranosyl residue at position 3 via a glycosidic linkage. D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002018 - Bufanolides
14beta-hydroxy-19beta-oxobufa-4,20,22-trienolide-16alpha-O-acetyl-3beta-O-beta-D-glucopyranoside|urginin B
14beta-hydroxy-19beta-oxobufa-4,20,22-trienolide-16alpha-O-acetyl-3beta-O-beta-D-glucopyranoside|urginin B
1beta-isobutyryloxy-2beta,6alpha,15-triacetoxy-9alpha-benzoyloxy-4alpha-hydroxydihydro-beta-agarofuran
1beta-isobutyryloxy-2beta,6alpha,15-triacetoxy-9alpha-benzoyloxy-4alpha-hydroxydihydro-beta-agarofuran
16beta-Acetoxy-5-beta-D-glucopyranosyloxy-14-hydroxy-19-oxo-5beta,14beta-bufa-3,20,22-trienolid|16beta-acetoxy-5-beta-D-glucopyranosyloxy-14-hydroxy-19-oxo-5beta,14beta-bufa-3,20,22-trienolide|scillicyanoside
16beta-Acetoxy-5-beta-D-glucopyranosyloxy-14-hydroxy-19-oxo-5beta,14beta-bufa-3,20,22-trienolid|16beta-acetoxy-5-beta-D-glucopyranosyloxy-14-hydroxy-19-oxo-5beta,14beta-bufa-3,20,22-trienolide|scillicyanoside
6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methylbut-2-enoyl)oxy]-4-[(3-methylbut-2-enoyl)oxy]-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-7-yl 3-methylbut-2-enoate
6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methylbut-2-enoyl)oxy]-4-[(3-methylbut-2-enoyl)oxy]-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-7-yl 3-methylbut-2-enoate
9a-formyl-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-5a-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate
9a-formyl-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-5a-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate
(1s,2r,4r,5r,7s,9s,10r,11s,12s,14s,15r,16s,17r,19s,22s,23r,24r)-14-(acetyloxy)-4,5,22-trihydroxy-11,15,17,22,23-pentamethyl-3,21,25-trioxo-8,20-dioxaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁷,⁹.0¹⁶,²⁴.0¹⁹,²³]pentacosan-10-yl acetate
(1s,2r,4r,5r,7s,9s,10r,11s,12s,14s,15r,16s,17r,19s,22s,23r,24r)-14-(acetyloxy)-4,5,22-trihydroxy-11,15,17,22,23-pentamethyl-3,21,25-trioxo-8,20-dioxaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁷,⁹.0¹⁶,²⁴.0¹⁹,²³]pentacosan-10-yl acetate
(1r,2s,3as,3br,5as,9as,9bs,11ar)-9a-formyl-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-5a-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate
(1r,2s,3as,3br,5as,9as,9bs,11ar)-9a-formyl-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-5a-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate
1-deoxy-3-methacrylyl-11-methoxymeliacar-pinin
NA
{"Ingredient_id": "HBIN002475","Ingredient_name": "1-deoxy-3-methacrylyl-11-methoxymeliacar-pinin","Alias": "NA","Ingredient_formula": "C32H42O12","Ingredient_Smile": "CC(=C)C(=O)OC1CCC23COC(C2C4(C(C5C3C1(CO5)C)OC6(C4(C7CC6C8(C=COC8O7)O)O)C)C)(C(=O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5193","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-deoxy-3-methacrylyl-11-methoxymeliacarpnin
NA
{"Ingredient_id": "HBIN002476","Ingredient_name": "1-deoxy-3-methacrylyl-11-methoxymeliacarpnin","Alias": "NA","Ingredient_formula": "C32H42O12","Ingredient_Smile": "NA","Ingredient_weight": "618.677","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9219","PubChem_id": "NA","DrugBank_id": "NA"}
Azadirachtin I
NA
{"Ingredient_id": "HBIN017430","Ingredient_name": "Azadirachtin I","Alias": "NA","Ingredient_formula": "C32H42O12","Ingredient_Smile": "CC=C(C)C(=O)OC1CC(C2(COC3C2C14COC(C4C(C3O)(C)C56C7CC(C5(O6)C)C8(C=COC8O7)O)O)C)OC(=O)C","Ingredient_weight": "618.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32765","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "76309325","DrugBank_id": "NA"}
methyl (1r,4s,5r,6r,7r,8s,10s,14s,15s,16r,18s,19s,22s,23s,26s)-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-23-[(2-methylprop-2-enoyl)oxy]-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.1⁸,¹⁵.0¹,⁵.0⁶,¹⁸.0⁷,¹⁶.0¹⁰,¹⁴.0²²,²⁶]heptacos-12-ene-4-carboxylate
methyl (1r,4s,5r,6r,7r,8s,10s,14s,15s,16r,18s,19s,22s,23s,26s)-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-23-[(2-methylprop-2-enoyl)oxy]-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.1⁸,¹⁵.0¹,⁵.0⁶,¹⁸.0⁷,¹⁶.0¹⁰,¹⁴.0²²,²⁶]heptacos-12-ene-4-carboxylate
14-(acetyloxy)-4,5,22-trihydroxy-11,15,17,22,23-pentamethyl-3,21,25-trioxo-8,20-dioxaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁷,⁹.0¹⁶,²⁴.0¹⁹,²³]pentacosan-10-yl acetate
14-(acetyloxy)-4,5,22-trihydroxy-11,15,17,22,23-pentamethyl-3,21,25-trioxo-8,20-dioxaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁷,⁹.0¹⁶,²⁴.0¹⁹,²³]pentacosan-10-yl acetate
methyl (1r,4s,5r,6s,7r,8s,10s,14s,15s,16r,18s,19r,22r,23r,26r)-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-23-[(2-methylprop-2-enoyl)oxy]-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.1⁸,¹⁵.0¹,⁵.0⁶,¹⁸.0⁷,¹⁶.0¹⁰,¹⁴.0²²,²⁶]heptacos-12-ene-4-carboxylate
methyl (1r,4s,5r,6s,7r,8s,10s,14s,15s,16r,18s,19r,22r,23r,26r)-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-23-[(2-methylprop-2-enoyl)oxy]-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.1⁸,¹⁵.0¹,⁵.0⁶,¹⁸.0⁷,¹⁶.0¹⁰,¹⁴.0²²,²⁶]heptacos-12-ene-4-carboxylate
4,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-5-[(2-methylpropanoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
4,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-5-[(2-methylpropanoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s,2r,4r,5r,7s,9s,10r,11s,12s,14s,15r,16s,17r,22s,23r,24r)-14-(acetyloxy)-4,5,22-trihydroxy-11,15,17,22,23-pentamethyl-3,21,25-trioxo-8,20-dioxaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁷,⁹.0¹⁶,²⁴.0¹⁹,²³]pentacosan-10-yl acetate
(1s,2r,4r,5r,7s,9s,10r,11s,12s,14s,15r,16s,17r,22s,23r,24r)-14-(acetyloxy)-4,5,22-trihydroxy-11,15,17,22,23-pentamethyl-3,21,25-trioxo-8,20-dioxaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁷,⁹.0¹⁶,²⁴.0¹⁹,²³]pentacosan-10-yl acetate
(1s,2s,4s,5r,6r,7s,9r,12r)-4,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-5-[(2-methylpropanoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s,2s,4s,5r,6r,7s,9r,12r)-4,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-5-[(2-methylpropanoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
methyl 7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-23-[(2-methylprop-2-enoyl)oxy]-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.1⁸,¹⁵.0¹,⁵.0⁶,¹⁸.0⁷,¹⁶.0¹⁰,¹⁴.0²²,²⁶]heptacos-12-ene-4-carboxylate
methyl 7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-23-[(2-methylprop-2-enoyl)oxy]-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.1⁸,¹⁵.0¹,⁵.0⁶,¹⁸.0⁷,¹⁶.0¹⁰,¹⁴.0²²,²⁶]heptacos-12-ene-4-carboxylate
(1s,2r,4r,5r,6s,8r,10s,11s,12r,14r,15s,19r,20r,21s)-21-(acetyloxy)-6-(furan-3-yl)-4,12,19,20-tetrahydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
(1s,2r,4r,5r,6s,8r,10s,11s,12r,14r,15s,19r,20r,21s)-21-(acetyloxy)-6-(furan-3-yl)-4,12,19,20-tetrahydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
(1r,2s,3as,5as,9as,11ar)-9a-formyl-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-5a-{[(2s,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate
(1r,2s,3as,5as,9as,11ar)-9a-formyl-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-5a-{[(2s,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate
(3s,3ar,4s,6s,6ar,7s,8s,9bs)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-4-[(3-methylbut-2-enoyl)oxy]-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-7-yl (2z)-2-methylbut-2-enoate
(3s,3ar,4s,6s,6ar,7s,8s,9bs)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-4-[(3-methylbut-2-enoyl)oxy]-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-7-yl (2z)-2-methylbut-2-enoate
(1r,2r,3as,3br,7s,9as,9bs,11ar)-9a-formyl-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate
(1r,2r,3as,3br,7s,9as,9bs,11ar)-9a-formyl-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate
(3r,3as,4r,6r,6as,7r,8r,9br)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-4-[(3-methylbut-2-enoyl)oxy]-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-7-yl 3-methylbut-2-enoate
(3r,3as,4r,6r,6as,7r,8r,9br)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-4-[(3-methylbut-2-enoyl)oxy]-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-7-yl 3-methylbut-2-enoate
