input word = C00058734

Metabolite InformationStructural formula
Name Spinoside D3
Formula C48H76O20
Mw 972.49299487
CAS RN 151271-84-0
C_ID C00058734
InChIKey IDGBFYVSNABVRJ-UHFFFAOYSA-N
InChICode InChI=1S/C48H76O20/c1-21-29(52)31(54)34(57)39(64-21)67-37-24(18-49)65-38(36(59)33(37)56)63-19-25-30(53)32(55)35(58)40(66-25)68-42(62)48-15-13-43(2,41(60)61)17-23(48)22-7-8-27-44(3)11-10-28(51)45(4,20-50)26(44)9-12-47(27,6)46(22,5)14-16-48/h7,21,23-40,49-59H,8-20H2,1-6H3,(H,60,61)
SMILES CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C(=O)O)CC4C4=CCC6C7(C)CCC(O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax spinosus Ref.
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