input word = C00032513

Metabolite InformationStructural formula
Name Withanolide A
(+)-Withanolide A
Formula C28H38O6
Mw 470.26683895
CAS RN 32911-62-9
C_ID C00032513 ,
InChIKey DXWHOKCXBGLTMQ-CIXXEMSLNA-N
InChICode InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1
SMILES C1=CC[C@]2([C@](C1=O)([C@@H]1[C@@H]([C@H]3[C@@H]2O3)[C@H]2[C@](CC1)([C@H](CC2)[C@@](C)(O)[C@H]1CC(=C(C(=O)O1)C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeLycium chinense Ref.
PlantaeSolanaceaeWithania coagulans Ref.
PlantaeSolanaceaeWithania somnifera DUNAL Ref.
--Exodeconus maritimus Ref.
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OrganismExodeconus maritimus
ReferenceGil,J.Nat.Prod.,60,(1997),568