input word = C00064402

Metabolite InformationStructural formula
Name Withanolide N
Formula C28H36O5
Mw 452.25627426
CAS RN 55483-04-0
C_ID C00064402
InChIKey FIQAJJNJIBXRNB-ALUBXIJSSA-N
InChICode InChI=1S/C28H36O5/c1-16-14-23(33-25(31)20(16)15-29)17(2)28(32)13-11-21-19-9-8-18-6-5-7-24(30)27(18,4)22(19)10-12-26(21,28)3/h5,7-8,11,17,19,22-23,29,32H,6,9-10,12-15H2,1-4H3/t17-,19+,22+,23-,26+,27+,28+/m1/s1
SMILES CC1=C(CO)C(=O)OC(C(C)C2(O)CC=C3C4CC=C5CC=CC(=O)C5(C)C4CCC32C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
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