N-(2-methyl-3-chloro-4-hydroxyphenyl)anthranilic acid (CHEBI:169539)

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ChEBI Name	N-(2-methyl-3-chloro-4-hydroxyphenyl)anthranilic acid

ChEBI ID	CHEBI:169539

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

Submitter	MetaboLights

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Download	Molfile XML SDF

Formula

C14H12ClNO3

Net Charge

Average Mass

277.700

Monoisotopic Mass

277.05057

InChI

InChI=1S/C14H12ClNO3/c1-8-10(6-7-12(17)13(8)15)16-11-5-3-2-4-9(11)14(18)19/h2-7,16-17H,1H3,(H,18,19)

InChIKey

VRNDVGVAHVCCCU-UHFFFAOYSA-N

SMILES

ClC=1C(=C(NC=2C(=CC=CC2)C(O)=O)C=CC1O)C

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

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

ChEBI Ontology
Outgoing	N-(2-methyl-3-chloro-4-hydroxyphenyl)anthranilic acid (CHEBI:169539) is a aminobenzoic acid (CHEBI:22495)

IUPAC Name

2-(3-chloro-4-hydroxy-2-methylanilino)benzoic acid

Registry Number	Type	Source
77605-73-3	CAS Registry Number	ChemIDplus