input word = C00064371

Metabolite InformationStructural formula
Name Withanolide L
Formula C28H36O5
Mw 452.25627426
CAS RN 50932-24-6
C_ID C00064371
InChIKey KVOUREBSNXETJF-UUKUVDNFSA-N
InChICode InChI=1S/C28H36O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)28(32)14-12-20-19-10-9-18-7-6-8-22(29)26(18,4)21(19)11-13-25(20,28)3/h6,8-9,12,19,21,23,31-32H,7,10-11,13-15H2,1-5H3/t19-,21-,23+,25-,26-,27-,28+/m0/s1
SMILES CC1=C(C)C(=O)OC(C(C)(O)C2(O)CC=C3C4CC=C5CC=CC(=O)C5(C)C4CCC32C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
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