4-Hydroxy-7-methoxy-1,3-benzodioxole-5-carboxylic acid (CHEBI:176763)

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CHEBI:176763 - 4-Hydroxy-7-methoxy-1,3-benzodioxole-5-carboxylic acid

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ChEBI ID	CHEBI:176763
ChEBI Name	4-Hydroxy-7-methoxy-1,3-benzodioxole-5-carboxylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C9H8O6
Net Charge	0
Average Mass	212.157
Monoisotopic Mass	212.03209
SMILES	COc1cc(C(=O)O)c(O)c2c1OCO2
InChI	InChI=1S/C9H8O6/c1-13-5-2-4(9(11)12)6(10)8-7(5)14-3-15-8/h2,10H,3H2,1H3,(H,11,12)
InChIKey	CYZVRAUHGNBXIO-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)
	blood plasma (BTO:0000118)	MetaboLights (MTBLS2262)
	blood plasma (BTO:0000118)	MetaboLights (MTBLS2262)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	4-Hydroxy-7-methoxy-1,3-benzodioxole-5-carboxylic acid (CHEBI:176763) is a methoxybenzoic acid (CHEBI:25238)

IUPAC Name
4-hydroxy-7-methoxy-1,3-benzodioxole-5-carboxylic acid

Manual Xrefs	Databases
HMDB0137303	HMDB
3230374	ChemSpider