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Phenylethyl beta-D-glucopyranoside

MNXM14344 is deprecated and here replaced by MNXM728411
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM728411 Image of MNXM728411
referencechebi:182253
formulaC14H20O6
global charge0
mol weight284.308
InChIKeyMLRIJUWUQTVDQE-RKQHYHRCSA-N
InChIInChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12+,13-,14-/m1/s1
SMILESOC[C@H]1O[C@@H](OCCC2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12+,13-,14-/m1/s1 Image of MNXM728411
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:9]([CH2:6][CH2:7][O:19][C@H:14]2[C@H:13]([OH:18])[C@@H:12]([OH:17])[C@H:11]([OH:16])[C@@H:10]([CH2:8][OH:15])[O:20]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:182253
chebi:182253
MLRIJUWUQTVDQE-RKQHYHRCSA-N 		Phenylethyl beta-D-glucopyranoside
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol

CHEBI:177827
chebi:177827
MLRIJUWUQTVDQE-RQICVUQASA-N 		2-Phenylethyl D-glucopyranoside
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol

metacyc.compound:CPD-14528
metacycM:CPD-14528
seed.compound:cpd33507
seedM:cpd33507
MLRIJUWUQTVDQE-RKQHYHRCSA-N
MLRIJUWUQTVDQE-RQICVUQASA-N 		2-phenylethyl beta-D-glucopyranoside

seedM:M_cpd33507 		secondary/obsolete/fantasy identifier