MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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hydroquinone O-beta-D-glucopyranoside

	Properties	Image
MNX_ID	MNXM1371473
reference	chebi:18305
formula	C₁₂H₁₆O₇
global charge	0
mol weight	272.253
InChIKey	BJRNKVDFDLYUGJ-RMPHRYRLSA-N
InChI	InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1
SMILES	OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1
SMILES (mnx)	[CH:1]1=[CH:3][C:7]([O:18][C@H:12]2[C@H:11]([OH:17])[C@@H:10]([OH:16])[C@H:9]([OH:15])[C@@H:8]([CH2:5][OH:13])[O:19]2)=[CH:4][CH:2]=[C:6]1[OH:14]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	6

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-3296424 reactomeM:R-ALL-3296424 CHEBI:18305 chebi:18305 BJRNKVDFDLYUGJ-RMPHRYRLSA-N	hydroquinone O-beta-D-glucopyranoside 4-hydroxyphenyl beta-D-glucopyranoside Arbutin Hydroquinone-O-beta-D-glucopyranoside Ursin Uvasol p-hydroxyphenyl beta-D-glucopyranoside p-hydroxyphenyl beta-D-glucoside
bigg.metabolite:arbt biggM:arbt BJRNKVDFDLYUGJ-RMPHRYRLSA-N	Arbutin
vmhM:arbt vmhmetabolite:arbt BJRNKVDFDLYUGJ-RMPHRYRLSA-N	Arbutin (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
hmdb:HMDB0029943 BJRNKVDFDLYUGJ-RMPHRYRLSA-N	Arbutin (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol 4-Hydroxyphenyl beta-D-glucopyranoside 4-Hydroxyphenyl-b-glucopyranoside 4-Hydroxyphenyl-beta-glucopyranoside Arbutine Arbutoside Arbutyne Hydroquinone beta-D-glucopyranoside Hydroquinone glucose Hydroquinone-O-b-D-glucopyranoside Hydroquinone-O-beta-D-glucopyranoside Ursin Uvasol beta-Arbutin beta-arbutin p-Arbutin p-Hydroxyphenyl b-D-glucopyranoside p-Hydroxyphenyl b-D-glucoside p-Hydroxyphenyl beta-D-glucopyranoside p-Hydroxyphenyl beta-D-glucoside
sabiork.compound:3779 sabiorkM:3779 kegg.compound:C06186 keggC:C06186 BJRNKVDFDLYUGJ-RMPHRYRLSA-N	Arbutin Hydroquinone-O-beta-D-glucopyranoside Ursin Uvasol
seed.compound:cpd03696 seedM:cpd03696 BJRNKVDFDLYUGJ-RMPHRYRLSA-N	Ursin Arbutin Hydroquinone-O-beta-D-glucopyranoside Uvasol arbt arbutin hydroquinone-O-beta-D-glucopyranoside p-hydroxyphenyl beta-D-glucopyranoside p-hydroxyphenyl beta-D-glucoside
metacyc.compound:HYDROQUINONE-O-BETA-D-GLUCOPYRANOSIDE metacycM:HYDROQUINONE-O-BETA-D-GLUCOPYRANOSIDE BJRNKVDFDLYUGJ-RMPHRYRLSA-N	arbutin Ursin Uvasol hydroquinone-O-beta-D-glucopyranoside p-hydroxyphenyl beta-D-glucopyranoside p-hydroxyphenyl beta-D-glucoside
hmdb:HMDB29943 chebi:14417 chebi:2806 biggM:M_arbt keggC:M_C06186 seedM:M_cpd03696 vmhM:M_arbt	secondary/obsolete/fantasy identifier