input word = C00064473

Metabolite InformationStructural formula
Name Withanolide U
Formula C28H38O6
Mw 470.26683895
CAS RN 65870-43-1
C_ID C00064473
InChIKey HQTMLKNKTSIYDB-PDNGWDEOSA-N
InChICode InChI=1S/C28H38O6/c1-15-14-23(34-24(31)16(15)2)27(5,32)21-11-13-28(33)18-6-7-19-20(29)8-9-22(30)26(19,4)17(18)10-12-25(21,28)3/h7-9,17-18,20-21,23,29,32-33H,6,10-14H2,1-5H3/t17-,18+,20-,21-,23+,25+,26+,27+,28+/m0/s1
SMILES CC1=C(C)C(=O)OC(C(C)(O)C2CCC3(O)C4CC=C5C(O)C=CC(=O)C5(C)C4CCC23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
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