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sitosteryl 3-beta-D-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM14612

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₃₅H₆₀O₆

charge

mass

576.43899

reference

chebi:67554

InChIKey

NPJICTMALKLTFW-OFUAXYCQSA-N

InChI

InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1

SMILES

CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:67554 chebi:67554	sitosteryl 3-beta-D-glucoside (3beta)-stigmast-5-en-3-yl beta-D-glucopyranoside 3-beta-(beta-D-glucopyranosyloxy)stigmast-5-ene BSSG alexandrin beta-daucosterol beta-sitosterol 3-O-beta-D-glucopyranoside beta-sitosteryl-beta-D-glucopyranoside coriandrinol daucosterin daucosterol eleutheroside A lyoniside sitogluside sitoglusidum sterolin
seed.compound:cpd31346 seedM:cpd31346 kegg.compound:C20785 keggC:C20785	Eleutheroside A Sitogluside beta-Sitosterol D-glucoside
kegg.drug:D05848 keggD:D05848	Sitogluside (USAN/INN) Daucosterol Eleutheroside A beta-Sitosterol glucoside
metacyc.compound:CPD-11608 metacycM:CPD-11608	beta-sitosterol 3-O-beta-D-glucoside 3-O-beta-D-glucosyl-beta-sitosterol O-glucosyl-beta-sitosterol beta-sitosterol glucoside beta-sitosterol-beta-D-glucopyranoside daucosterol
keggC:M_C20785 keggD:M_D05848 seedM:M_cpd31346	secondary/obsolete/fantasy identifier