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 O=C1[C@]2(C)[C@@]([C@@]3([H])C[C@@H](O)[C@]2(O)[C@@H](O)C=C1)([H])CC[C@@]4(C)C3=CC[C@]4([C@](O)(C)[C@@]5([H])CC(C)=C(C)C(O5)=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis peruviana Ref.
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