Dimethachlor Metabolite SYN 530561 (CHEBI:201900)

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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	Dimethachlor Metabolite SYN 530561

ChEBI ID	CHEBI:201900

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

Submitter	MetaboLights

Supplier Information

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Formula

C13H17NO5

Net Charge

Average Mass

267.281

Monoisotopic Mass

267.11067

InChI

InChI=1S/C13H17NO5/c1-9-4-3-5-10(13(17)18)12(9)14(6-7-19-2)11(16)8-15/h3-5,15H,6-8H2,1-2H3,(H,17,18)

InChIKey

UJKHCLQXFACPDB-UHFFFAOYSA-N

SMILES

O=C(O)C1=C(N(C(=O)CO)CCOC)C(=CC=C1)C

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	Dimethachlor Metabolite SYN 530561 (CHEBI:201900) is a amidobenzoic acid (CHEBI:48470)

IUPAC Name

2-[(2-hydroxyacetyl)-(2-methoxyethyl)amino]-3-methylbenzoic acid