input word = C00057867

Metabolite InformationStructural formula
Name Solidagosaponin II
Formula C45H72O17
Mw 884.47695088
CAS RN 139035-19-1
C_ID C00057867
InChIKey ARXYALYPJXTJGY-UHFFFAOYSA-N
InChICode InChI=1S/C45H72O17/c1-21(48)14-30(50)59-26-19-58-37(34(54)32(26)52)62-35-33(53)31(51)25(18-46)60-38(35)61-29-17-44(7)22(23-15-40(2,3)12-13-45(23,29)39(56)57)8-9-28-41(4)16-24(49)36(55)42(5,20-47)27(41)10-11-43(28,44)6/h8,21,23-29,31-38,46-49,51-55H,9-20H2,1-7H3,(H,56,57)
SMILES CC(O)CC(=O)OC1COC(OC2C(OC3CC4(C)C(=CCC5C6(C)CC(O)C(O)C(C)(CO)C6CCC54C)C4CC(C)(C)CCC34C(=O)O)OC(CO)C(O)C2O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSolidago virga-aurea Ref.
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