input word = C00064311

Metabolite InformationStructural formula
Name Withanolide E
Formula C28H38O7
Mw 486.26175357
CAS RN 38254-15-8
C_ID C00064311
InChIKey RUVPNJSJTWTANE-LFCBYZEKSA-N
InChICode InChI=1S/C28H38O7/c1-15-13-20(34-22(30)16(15)2)25(5,31)28(33)12-11-26(32)18-14-21-27(35-21)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,31-33H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27+,28-/m0/s1
SMILES CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3(O)C4CC5OC56CC=CC(=O)C6(C)C4CCC32C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
zoom in