input word = C00035011

Metabolite InformationStructural formula
Name 27-Hydroxywithanone
Formula C28H38O7
Mw 486.26175357
CAS RN 871949-32-5
C_ID C00035011 ,
InChIKey XOKCBESGXYESDY-OIAYNJHVNA-N
InChICode InChI=1S/C28H38O7/c1-14-12-19(34-24(31)16(14)13-29)15(2)27(32)11-8-17-21-18(7-10-25(17,27)3)26(4)20(30)6-5-9-28(26,33)23-22(21)35-23/h5-6,15,17-19,21-23,29,32-33H,7-13H2,1-4H3/t15-,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]1CC(=C(C(=O)O1)CO)C)C)O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
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OrganismWithania somnifera
ReferenceDhar,Phytochem.,67,(2006),2269