input word = C00034339

Metabolite InformationStructural formula
Name Withanone
Formula C28H38O6
Mw 470.26683895
CAS RN 27570-38-3
C_ID C00034339 ,
InChIKey FAZIYUIDUNHZRG-ZYIXKZRKNA-N
InChICode InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/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@](CC2)([C@@H]([C@@H]1OC(=O)C(=C(C1)C)C)C)O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDiscopodium penninervium Ref.
PlantaeSolanaceaePhysalis philadelphica Ref.
PlantaeSolanaceaeWithania somnifera Ref.
--Exodeconus maritimus Ref.
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