input word = C00058245

Metabolite InformationStructural formula
Name Withaperuvin D
Formula C28H40O9
Mw 520.26723288
CAS RN 87749-17-5
C_ID C00058245
InChIKey DMAZCUJZFYKTRY-WEKDIDQISA-N
InChICode InChI=1S/C28H40O9/c1-13-10-19(37-22(31)14(13)2)25(5,32)27(34)9-8-26(33)16-11-20-28(35)21(30)17(36-20)12-18(29)24(28,4)15(16)6-7-23(26,27)3/h15-17,19-21,30,32-35H,6-12H2,1-5H3/t15-,16+,17+,19+,20-,21-,23-,24-,25+,26+,27-,28-/m0/s1
SMILES CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H]5O[C@@H]6CC(=O)[C@](C)([C@H]4CC[C@]23C)[C@@]5(O)[C@H]6O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis peruviana Ref.
zoom in