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 [C@@H]1([C@@H](C[C@H]2[C@@](C1)([C@H]1C(=CC2=O)[C@@]2([C@](CC1)([C@@H](CC2)[C@@](CC[C@@H](OC(=O)c1[nH]ccc1)C(C)(O)C)(O)C)C)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeLabiataeVitex canescens Ref.
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