input word = C00064359

Metabolite InformationStructural formula
Name Withanolide H
Formula C28H38O6
Mw 470.26683895
CAS RN 50601-16-6
C_ID C00064359
InChIKey SZVJDQSFFAIGDR-HZRISEJCSA-N
InChICode InChI=1S/C28H38O6/c1-16-14-23(34-24(31)18(16)15-29)27(4,32)21-11-13-28(33)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5,7-8,19-21,23,29,32-33H,6,9-15H2,1-4H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1
SMILES CC1=C(CO)C(=O)OC(C(C)(O)C2CCC3(O)C4CC=C5CC=CC(=O)C5(C)C4CCC23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
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