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Phenyl beta-D-glucopyranoside

PropertiesImage
MNX_IDMNXM16055 Image of MNXM16055
referencechebi:8083
formulaC12H16O6
global charge0
mol weight256.254
InChIKeyNEZJDVYDSZTRFS-RMPHRYRLSA-N
InChIInChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12-/m1/s1
SMILESOC[C@H]1O[C@@H](OC2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12-/m1/s1 Image of MNXM16055
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:7]([O:17][C@H:12]2[C@H:11]([OH:16])[C@@H:10]([OH:15])[C@H:9]([OH:14])[C@@H:8]([CH2:6][OH:13])[O:18]2)[CH:5]=[CH:3]1
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:8083
chebi:8083
NEZJDVYDSZTRFS-RMPHRYRLSA-N 		Phenyl beta-D-glucopyranoside
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxy-oxane-3,4,5-triol
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxy-tetrahydropyran-3,4,5-triol
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
(2R,3S,4S,5R,6S)-2-methylol-6-phenoxy-tetrahydropyran-3,4,5-triol
Phenylglucoside

kegg.compound:C03097
keggC:C03097
NEZJDVYDSZTRFS-RMPHRYRLSA-N 		Aryl beta-D-glucoside

seed.compound:cpd01988
seedM:cpd01988
NEZJDVYDSZTRFS-RMPHRYRLSA-N 		Aryl beta-D-glucoside
Phenyl beta-D-glucopyranoside
Phenylglucoside
phenyl-beta-D-glucoside

kegg.compound:C11611
keggC:C11611
NEZJDVYDSZTRFS-RMPHRYRLSA-N 		Phenyl beta-D-glucopyranoside
Phenylglucoside

sabiork.compound:27985
sabiorkM:27985
NEZJDVYDSZTRFS-RMPHRYRLSA-N 		Phenyl beta-D-glucoside

seed.compound:cpd08428
seedM:cpd08428 		Phenylglucoside

metacyc.compound:CPD0-1667
metacycM:CPD0-1667
NEZJDVYDSZTRFS-RMPHRYRLSA-N 		phenyl-beta-D-glucoside

keggC:M_C03097
keggC:M_C11611
seedM:M_cpd01988
seedM:M_cpd08428 		secondary/obsolete/fantasy identifier