input word = C00064363

Metabolite InformationStructural formula
Name Withanolide I
Formula C28H38O5
Mw 454.27192432
CAS RN 50657-11-9
C_ID C00064363
InChIKey LEVWMALVAZUERI-HZRISEJCSA-N
InChICode InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-7,9,19-21,23,31-32H,8,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1
SMILES CC1=C(C)C(=O)OC(C(C)(O)C2CCC3(O)C4CC=C5C=CCC(=O)C5(C)C4CCC23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
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