input word = C00064364

Metabolite InformationStructural formula
Name Withanolide J
Formula C28H38O6
Mw 470.26683895
CAS RN 50657-12-0
C_ID C00064364
InChIKey GQHHHBATDOXAEP-GVMYOIGOSA-N
InChICode InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19?,20?,22?,24-,25-,26-,27+,28+/m0/s1
SMILES CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3(O)C4CC=C5CC=CC(=O)C5(C)C4CCC32C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania coagulans Ref.
PlantaeSolanaceaeWithania somnifera Ref.
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