input word = C00064403

Metabolite InformationStructural formula
Name Withanolide O
Formula C28H36O5
Mw 452.25627426
CAS RN 55483-05-1
C_ID C00064403
InChIKey OBDQWQCFPJHUIL-GWNFNWAFSA-N
InChICode InChI=1S/C28H36O5/c1-15-14-23(33-25(31)16(15)2)17(3)28(32)13-11-19-18-6-7-21-22(29)8-9-24(30)27(21,5)20(18)10-12-26(19,28)4/h7-9,17,20,22-23,29,32H,6,10-14H2,1-5H3/t17-,20+,22+,23-,26+,27-,28+/m1/s1
SMILES CC1=C(C)C(=O)OC(C(C)C2(O)CCC3=C4CC=C5C(O)C=CC(=O)C5(C)C4CCC32C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
zoom in