input word = C00064472

Metabolite InformationStructural formula
Name Withanolide T
Formula C28H38O7
Mw 486.26175357
CAS RN 65870-42-0
C_ID C00064472
InChIKey AYIFDTLEURDAHR-PVCXJNFPSA-N
InChICode InChI=1S/C28H38O7/c1-14-13-19(34-23(30)15(14)2)26(5,31)28(33)12-9-16-20-17(8-11-24(16,28)3)25(4)18(29)7-6-10-27(25,32)22-21(20)35-22/h6-7,16-17,19-22,31-33H,8-13H2,1-5H3/t16-,17-,19+,20-,21-,22-,24-,25-,26-,27-,28+/m0/s1
SMILES CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC32C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
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OrganismWithania somnifera
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 4, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.