input word = C00058201

Metabolite InformationStructural formula
Name Withaperuvin
Formula C28H40O9
Mw 520.26723288
CAS RN 78285-97-9
C_ID C00058201
InChIKey XLUKITCTLVOOAW-NVAODOTGSA-N
InChICode InChI=1S/C28H40O9/c1-14-12-21(37-22(32)15(14)2)25(5,33)27(35)11-10-26(34)17-13-20(31)28(36)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,19-21,30-31,33-36H,8-13H2,1-5H3/t16-,17+,19-,20-,21?,23-,24-,25-,26+,27-,28+/m0/s1
SMILES CC1=C(C)C(=O)OC([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H](O)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis peruviana Ref.
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