input word = C00064420

Metabolite InformationStructural formula
Name Withanolide R
Formula C28H38O6
Mw 470.26683895
CAS RN 58324-09-7
C_ID C00064420
InChIKey ITDTXRUOLXQNAY-PBJKSOEVSA-N
InChICode InChI=1S/C28H38O6/c1-13-14(2)25(31)34-22(21(13)30)15(3)16-8-9-17-20-18(10-12-26(16,17)4)27(5)19(29)7-6-11-28(27,32)24-23(20)33-24/h6-7,15-18,20-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,20-,21-,22-,23-,24-,26+,27-,28-/m0/s1
SMILES CC1=C(C)C(O)C(C(C)C2CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC23C)OC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
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