input word = C00051049

Metabolite InformationStructural formula
Name Jujubasaponin VI
Formula C42H68O14
Mw 796.46090688
CAS RN 146445-94-5
C_ID C00051049
InChIKey UVECFACYEYHBAX-UHFFFAOYNA-N
InChICode InChI=1S/C42H68O14/c1-19-27(44)29(46)31(48)34(51-19)54-32-30(47)28(45)21(16-43)52-35(32)53-24-12-13-38(6)22(36(24,2)3)11-14-39(7)23(38)10-9-20-33-40(8)26(15-25(55-40)37(4,5)49)56-42(33)17-41(20,39)18-50-42/h19-35,43-49H,9-18H2,1-8H3
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C7(CC45CO7)OC4CC(C(C)(C)O)OC46C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZiziphus jujuba Ref.
PlantaeRhamnaceaeZizyphus jujuba Ref.
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OrganismZiziphus jujuba
ReferenceYoshikawa, et al., Chem Pharm Bull, 40, (1992), 2275