2-(2,5-dihydroxy-4-methoxyphenyl)acetic acid (CHEBI:193226)

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CHEBI:193226 - 2-(2,5-dihydroxy-4-methoxyphenyl)acetic acid

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ChEBI ID	CHEBI:193226
ChEBI Name	2-(2,5-dihydroxy-4-methoxyphenyl)acetic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C9H10O5
Net Charge	0
Average Mass	198.174
Monoisotopic Mass	198.05282
SMILES	COc1cc(O)c(CC(=O)O)cc1O
InChI	InChI=1S/C9H10O5/c1-14-8-4-6(10)5(2-7(8)11)3-9(12)13/h2,4,10-11H,3H2,1H3,(H,12,13)
InChIKey	PCJSSDGVSARPLU-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	feces (BTO:0000440)	MetaboLights (MTBLS5335)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	2-(2,5-dihydroxy-4-methoxyphenyl)acetic acid (CHEBI:193226) is a phenols (CHEBI:33853)
	2-(2,5-dihydroxy-4-methoxyphenyl)acetic acid (CHEBI:193226) is a phenylacetic acids (CHEBI:25978)

IUPAC Name
2-(2,5-dihydroxy-4-methoxyphenyl)acetic acid

Manual Xrefs	Databases
16219250	ChemSpider