2-Methoxycarbonylphenyl beta-D-glucopyranoside (CHEBI:168882)

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CHEBI:168882 - 2-Methoxycarbonylphenyl beta-D-glucopyranoside

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ChEBI ID	CHEBI:168882
ChEBI Name	2-Methoxycarbonylphenyl beta-D-glucopyranoside
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H18O8
Net Charge	0
Average Mass	314.290
Monoisotopic Mass	314.10017
SMILES	COC(=O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C14H18O8/c1-20-13(19)7-4-2-3-5-8(7)21-14-12(18)11(17)10(16)9(6-15)22-14/h2-5,9-12,14-18H,6H2,1H3/t9-,10-,11+,12-,14-/m1/s1
InChIKey	ONKIQNFPVXNOBV-YGEZULPYSA-N

Species of Metabolite	Component	Source	Comments
Malus domestica (ncbitaxon:3750)	exocarp (BTO:0000733)	MetaboLights (MTBLS2384)	Strain: Malus x domestica Borkh. cv. Ruixue

ChEBI Ontology

Outgoing Relation(s)
	2-Methoxycarbonylphenyl beta-D-glucopyranoside (CHEBI:168882) is a glycoside (CHEBI:24400)

IUPAC Name
methyl 2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate

Manual Xrefs	Databases
5890596	ChemSpider