input word = C00064452

Metabolite InformationStructural formula
Name Withanolide P
Formula C28H38O5
Mw 454.27192432
CAS RN 63115-50-4
C_ID C00064452
InChIKey KVGZFVWPWRXZRC-FBZUMMEJSA-N
InChICode InChI=1S/C28H38O5/c1-16-15-22(33-24(30)17(16)2)18(3)27(31)13-14-28(32)21-10-9-19-7-6-8-23(29)26(19,5)20(21)11-12-25(27,28)4/h6,8-9,18,20-22,31-32H,7,10-15H2,1-5H3/t18-,20+,21-,22-,25-,26+,27-,28-/m1/s1
SMILES CC1=C(C)C(=O)OC(C(C)C2(O)CCC3(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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