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sitosteryl 3-beta-D-glucoside

PropertiesImage
MNX_IDMNXM14612 Image of MNXM14612
referencechebi:67554
formulaC35H60O6
global charge0
mol weight576.859
InChIKeyNPJICTMALKLTFW-OFUAXYCQSA-N
InChIInChI=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
SMILESCC[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@]12C)C(C)C
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM14612
SMILES (mnx)[CH3:1][CH2:7][C@H:22]([CH2:9][CH2:8][C@@H:21]([CH3:4])[C@H:26]1[CH2:12][CH2:13][C@H:27]2[C@@H:25]3[CH2:11][CH:10]=[C:23]4[CH2:18][C@@H:24]([O:40][C@H:33]5[C@H:32]([OH:39])[C@@H:31]([OH:38])[C@H:30]([OH:37])[C@@H:29]([CH2:19][OH:36])[O:41]5)[CH2:14][CH2:16][C@:34]4([CH3:5])[C@H:28]3[CH2:15][CH2:17][C@:35]12[CH3:6])[CH:20]([CH3:2])[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:67554
chebi:67554
NPJICTMALKLTFW-OFUAXYCQSA-N 		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:cpd23020
seedM:cpd23020
NPJICTMALKLTFW-OFUAXYCQSA-N 		3-O-beta-D-glucosyl-beta-sitosterol
O-glucosyl-beta-sitosterol
beta-sitosterol 3-O-beta-D-glucoside
beta-sitosterol glucoside
beta-sitosterol-beta-D-glucopyranoside
daucosterol

seed.compound:cpd31346
seedM:cpd31346
kegg.compound:C20785
keggC:C20785
NPJICTMALKLTFW-OFUAXYCQSA-N 		Eleutheroside A
Sitogluside
beta-Sitosterol D-glucoside

kegg.drug:D05848
keggD:D05848
NPJICTMALKLTFW-OFUAXYCQSA-N 		Sitogluside (USAN/INN)
Daucosterol
Eleutheroside A
beta-Sitosterol glucoside

lipidmaps:LMST01040197
lipidmapsM:LMST01040197
NPJICTMALKLTFW-OFUAXYCQSA-N 		Sitosteryl glucoside
(3beta)-stigmast-5-en-3-yl D-glucopyranoside
3-O-(beta-D-glucopyranosyl)-stigmast-5-en-3beta-ol
Hex
O
ST 29:1
Sitosterol glucoside
Sitosteryl beta-D-glucoside
stigmast-5-en-3beta-yl beta-D-glucopyranoside

metacyc.compound:CPD-11608
metacycM:CPD-11608
NPJICTMALKLTFW-OFUAXYCQSA-N 		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_cpd23020
seedM:M_cpd31346 		secondary/obsolete/fantasy identifier