input word = C00029786

Metabolite InformationStructural formula
Name Bacosterol-3-O-beta-D-glucopyranoside
Formula C35H60O6
Mw 576.43898965
CAS RN 886438-84-2
C_ID C00029786 ,
InChIKey UXYOSTCCNCPSRB-SHVQFWLHNA-N
InChICode InChI=1S/C35H60O6/c1-7-24(21(2)3)13-11-22(4)28-10-8-9-25-14-15-26-19-27(17-18-35(26,6)29(25)16-12-23(28)5)40-34-33(39)32(38)31(37)30(20-36)41-34/h8-9,16,21-28,30-34,36-39H,7,10-15,17-20H2,1-6H3/b9-8+,29-16+/t22-,23+,24-,25-,26-,27+,28-,30-,31-,32+,33-,34-,35+/m1/s1
SMILES CC[C@H](CC[C@@H](C)[C@H]1C/C=C/[C@@H]2CCC3C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)/C2=C/C[C@@H]1C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeBacopa monnieri Ref.
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OrganismBacopa monnieri
ReferenceBhandari,Chem.Pharm.Bull.,54,(2006),240