input word = C00064419

Metabolite InformationStructural formula
Name Withanolide Q
Formula C28H38O6
Mw 470.26683895
CAS RN 58324-08-6
C_ID C00064419
InChIKey RCYHJRHAKWAKRC-UIRUAFKDSA-N
InChICode InChI=1S/C28H38O6/c1-15-19(14-29)25(32)34-24(23(15)31)16(2)28(33)13-11-20-18-9-8-17-6-5-7-22(30)27(17,4)21(18)10-12-26(20,28)3/h5,7-8,16,18,20-21,23-24,29,31,33H,6,9-14H2,1-4H3/t16-,18+,20+,21+,23+,24+,26+,27+,28+/m1/s1
SMILES CC1=C(CO)C(=O)OC(C(C)C2(O)CCC3C4CC=C5CC=CC(=O)C5(C)C4CCC32C)C1O
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.