input word = C00003676

Metabolite InformationStructural formula
Name Withaferin A
Formula C28H38O6
Mw 470.26683895
CAS RN 5119-48-2
C_ID C00003676 ,
InChIKey DBRXOUCRJQVYJQ-BNDJEQFSNA-N
InChICode InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1
SMILES C1=C[C@@H]([C@]23[C@](C1=O)([C@@H]1[C@@H](C[C@H]2O3)[C@H]2[C@](CC1)([C@H](CC2)[C@@H]([C@H]1CC(=C(C(=O)O1)CO)C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeAcnistus arborescens Ref.
PlantaeSolanaceaeSolanum torvum Ref.
PlantaeSolanaceaeWithania ashwagandha Ref.
PlantaeSolanaceaeWithania coagulans Ref.
PlantaeSolanaceaeWithania somnifera Ref.
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OrganismWithania somnifera
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter56