input word = C00058211

Metabolite InformationStructural formula
Name Withaperuvin B
Formula C28H40O9
Mw 520.26723288
CAS RN 81644-35-1
C_ID C00058211
InChIKey IHIHXNCZVACPKN-GZXSRSAZSA-N
InChICode InChI=1S/C28H38O8/c1-14-12-22(36-23(32)15(14)2)26(5,33)27(34)11-9-17-16-13-21(31)28(35)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,9,16,18,20-22,30-31,33-35H,8,10-13H2,1-5H3/t16-,18-,20-,21+,22+,24-,25-,26-,27-,28+/m0/s1
SMILES CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC=C3[C@@H]4C[C@@H](O)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis peruviana Ref.
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OrganismPhysalis peruviana
ReferenceFrolow, F. et al., JCS Perkin 1, 1981, 1029-1032 (Withaperuvin)