input word = C00051164

Metabolite InformationStructural formula
Name Kudzusapogenol B methyl ester
Formula C31H50O6
Mw 518.36073933
CAS RN 96820-57-4
C_ID C00051164
InChIKey TVXOVTFPCNWYNK-VUOVQIEUNA-N
InChICode InChI=1S/C31H50O6/c1-26-14-15-30(5)18(19(26)16-28(3,25(36)37-7)24(35)23(26)34)8-9-21-27(2)12-11-22(33)29(4,17-32)20(27)10-13-31(21,30)6/h8,19-24,32-35H,9-17H2,1-7H3/t19-,20+,21+,22-,23+,24-,26+,27-,28-,29+,30+,31+/m0/s1
SMILES C[C@]1(CO)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePueraria lobata Ref.
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OrganismPueraria lobata
ReferenceChinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999)