input word = C00051047

Metabolite InformationStructural formula
Name Jujubasaponin IV
Formula C48H78O18
Mw 942.51881569
CAS RN 146445-93-4
C_ID C00051047
InChIKey WBZFXTIEMCPGMN-UHFFFAOYNA-N
InChICode InChI=1S/C48H78O18/c1-21(2)9-12-29-46(8,58)39-23-10-11-27-44(6)15-14-28(43(4,5)26(44)13-16-45(27,7)47(23)19-48(39,66-29)59-20-47)63-42-38(65-40-35(56)33(54)30(51)22(3)60-40)37(32(53)25(18-50)62-42)64-41-36(57)34(55)31(52)24(17-49)61-41/h9,22-42,49-58H,10-20H2,1-8H3
SMILES CC(C)=CCC1OC23CC4(CO2)C(CCC2C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC24C)C3C1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZiziphus jujuba Ref.
PlantaeRhamnaceaeZizyphus jujuba Ref.
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OrganismZizyphus jujuba
ReferenceYoshikawa,K.et al.,Chem.Pharm.Bull.,40,(1992),2275