input word = C00064405

Metabolite InformationStructural formula
Name 14alpha-Hydroxywithanolide D
Formula C28H38O7
Mw 486.26175357
CAS RN 55483-07-3
C_ID C00064405
InChIKey IYJCHCJFKFPISJ-MYVSNIEQSA-N
InChICode InChI=1S/C28H38O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)18-9-11-27(33)17-13-22-28(35-22)20(30)7-6-19(29)25(28,4)16(17)8-10-24(18,27)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)C2CCC3(O)C4CC5OC56C(O)C=CC(=O)C6(C)C4CCC23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
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