methyl 2-[(7-hydroxy-4,6-dimethyl-1-oxo-3H-2-benzouran-5-yl)oxy]acetate (CHEBI:213165)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	methyl 2-[(7-hydroxy-4,6-dimethyl-1-oxo-3H-2-benzouran-5-yl)oxy]acetate

ChEBI ID	CHEBI:213165

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H14O6

Net Charge

Average Mass

266.249

Monoisotopic Mass

266.07904

InChI

InChI=1S/C13H14O6/c1-6-8-4-19-13(16)10(8)11(15)7(2)12(6)18-5-9(14)17-3/h15H,4-5H2,1-3H3

InChIKey

CLFMAKJGFJKLEY-UHFFFAOYSA-N

SMILES

O=C1OCC=2C1=C(O)C(=C(OCC(=O)OC)C2C)C

Metabolite of Species	Details
Actinomyces (NCBI:txid1654)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	methyl 2-[(7-hydroxy-4,6-dimethyl-1-oxo-3H-2-benzouran-5-yl)oxy]acetate (CHEBI:213165) is a monocarboxylic acid (CHEBI:25384)

IUPAC Name

methyl 2-[(7-hydroxy-4,6-dimethyl-1-oxo-3H-2-benzouran-5-yl)oxy]acetate