input word = C00003677

Metabolite InformationStructural formula
Name Withaferin D
Withanolide D
Formula C28H38O6
Mw 470.26683895
CAS RN 30655-48-2
C_ID C00003677 ,
InChIKey SASUFNRGCZMRFD-WIIIJRCNNA-N
InChICode InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,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@]([C@H]1CC(=C(C(=O)O1)C)C)(O)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum torvum Ref.
PlantaeSolanaceaeTubocapsicum anomalum Ref.
PlantaeSolanaceaeWithania somnifera Ref.
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