Chemical Formula: C49H83NO17
Chemical Formula C49H83NO17
Found 7 metabolite its formula value is C49H83NO17
n-[(6s)-6-[(1r,2r,3as,3br,5as,7s,9as,9bs,11as)-7-{[(2r,3r,4r,5s,6r)-5-{[(2s,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-methyl-5-oxoheptyl]-3-methylbutanimidic acid
n-[(6s)-6-[(1r,2r,3as,3br,5as,7s,9as,9bs,11as)-7-{[(2r,3r,4r,5s,6r)-5-{[(2s,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-methyl-5-oxoheptyl]-3-methylbutanimidic acid
abutiloside a
NA
{"Ingredient_id": "HBIN014277","Ingredient_name": "abutiloside a","Alias": "NA","Ingredient_formula": "C49H83NO17","Ingredient_Smile": "CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3CCC4(C(C3)CCC5C4CCC6(C5CC(C6C(C)C(=O)CCC(C)CNC(=O)CC(C)C)O)C)C)CO)OC7C(C(C(CO7)O)O)O)O)O","Ingredient_weight": "958.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102303459","DrugBank_id": "NA"}
n-[(2r,6s)-6-[(1r,2r,3as,3br,5as,7s,9as,9bs,11as)-7-{[(2r,3r,4r,5s,6r)-5-{[(2s,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-methyl-5-oxoheptyl]-3-methylbutanimidic acid
n-[(2r,6s)-6-[(1r,2r,3as,3br,5as,7s,9as,9bs,11as)-7-{[(2r,3r,4r,5s,6r)-5-{[(2s,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-methyl-5-oxoheptyl]-3-methylbutanimidic acid
n-[(2r,6s)-6-[(1r,2r,3as,3br,5as,7s,9as,9bs,11as)-7-{[(2r,3r,4r,5s,6r)-5-{[(2s,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3s,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-methyl-5-oxoheptyl]-3-methylbutanimidic acid
n-[(2r,6s)-6-[(1r,2r,3as,3br,5as,7s,9as,9bs,11as)-7-{[(2r,3r,4r,5s,6r)-5-{[(2s,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3s,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-methyl-5-oxoheptyl]-3-methylbutanimidic acid
n-[6-(7-{[5-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl)-2-methyl-5-oxoheptyl]-3-methylbutanimidic acid
n-[6-(7-{[5-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl)-2-methyl-5-oxoheptyl]-3-methylbutanimidic acid
(2r)-n-[(2r,6s)-6-[(1r,2r,3as,3br,5as,7s,9as,9bs,11as)-7-{[(2r,3r,4s,5s,6r)-5-{[(2s,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-methyl-5-oxoheptyl]-2-methylbutanimidic acid
(2r)-n-[(2r,6s)-6-[(1r,2r,3as,3br,5as,7s,9as,9bs,11as)-7-{[(2r,3r,4s,5s,6r)-5-{[(2s,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-methyl-5-oxoheptyl]-2-methylbutanimidic acid