input word = C00028006

Metabolite InformationStructural formula
Name Canescensterone
(+)-Canescensterone
Formula C32H47NO8
Mw 573.33016749
CAS RN 162666-15-1
C_ID C00028006 ,
InChIKey AVXVGYYNQOOFRN-UHFFFAOYNA-N
InChICode InChI=1S/C32H47NO8/c1-28(2,38)26(41-27(37)21-7-6-14-33-21)10-12-31(5,39)25-9-13-32(40)19-15-22(34)20-16-23(35)24(36)17-29(20,3)18(19)8-11-30(25,32)4/h6-7,14-15,18,20,23-26,33,35-36,38-40H,8-13,16-17H2,1-5H3/t18-,20-,23-,24-,25-,26-,29+,30-,31-,32+/m1/s1
SMILES CC(C)(O)C(CCC(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)OC(=O)c1ccc[nH]1
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeLabiataeVitex canescens Ref.
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OrganismVitex canescens
ReferenceSuksamrarn,Phytochem.,38,(1995),473