input word = C00064406

Metabolite InformationStructural formula
Name 17alpha-Hydroxywithanolide D
Formula C28H38O7
Mw 486.26175357
CAS RN 55524-50-0
C_ID C00064406
InChIKey JVEUOKCSZLCPOI-IBELMYMKSA-N
InChICode InChI=1S/C28H38O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,16-18,20-22,30,32-33H,8-13H2,1-5H3/t16-,17-,18-,20-,21+,22+,24-,25-,26-,27+,28+/m0/s1
SMILES CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3C4CC5OC56C(O)C=CC(=O)C6(C)C4CCC32C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
zoom in