input word = C00063648

Metabolite InformationStructural formula
Name Withanolide Y
Formula C28H38O7
Mw 486.26175357
CAS RN 110202-68-1
C_ID C00063648
InChIKey JDXYJGMBBZUXJW-PVCXJNFPSA-N
InChICode InChI=1S/C28H38O7/c1-14-13-19(34-23(31)15(14)2)26(5,32)28(33)12-9-16-20-17(8-11-24(16,28)3)25(4)18(29)7-6-10-27(25)22(35-27)21(20)30/h6-7,16-17,19-22,30,32-33H,8-13H2,1-5H3/t16-,17-,19+,20-,21-,22-,24-,25-,26-,27-,28+/m0/s1
SMILES CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3C4C(O)C5OC56CC=CC(=O)C6(C)C4CCC32C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
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