input word = C00064366

Metabolite InformationStructural formula
Name Withanolide M
Formula C28H36O6
Mw 468.25118888
CAS RN 50657-14-2
C_ID C00064366
InChIKey QVPVAUAXVYYQTQ-XDLKSZKHSA-N
InChICode InChI=1S/C28H36O6/c1-15-13-21(33-23(30)16(15)2)26(5,31)27(32)14-22-28(34-22)19-10-9-17-7-6-8-20(29)25(17,4)18(19)11-12-24(27,28)3/h6,8-9,18-19,21-22,31-32H,7,10-14H2,1-5H3/t18-,19+,21+,22-,24+,25-,26-,27+,28-/m0/s1
SMILES CC1=C(C)C(=O)OC(C(C)(O)C2(O)CC3OC34C3CC=C5CC=CC(=O)C5(C)C3CCC42C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
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