input word = C00031534

Metabolite InformationStructural formula
Name 2,3-Dihydrowithaferin A
Dihydrowithaferin A
Formula C28H40O6
Mw 472.28248901
CAS RN 5589-41-3
C_ID C00031534 ,
InChIKey YRXCLNDPESBJHL-BNDJEQFSNA-N
InChICode InChI=1S/C28H40O6/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/h15-16,18-21,23-24,29,31H,5-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26-,27-,28+/m0/s1
SMILES CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)CCC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
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