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

ChEBI IDCHEBI:169539
ChEBI NameN-(2-methyl-3-chloro-4-hydroxyphenyl)anthranilic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H12ClNO3
Net Charge0
Average Mass277.707
Monoisotopic Mass277.05057
SMILESCc1c(Nc2ccccc2C(=O)O)ccc(O)c1Cl
InChIInChI=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)
InChIKeyVRNDVGVAHVCCCU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
48488ChemSpider
HMDB0060009HMDB
Registry NumbersSources
CAS:77605-73-3ChemIDplus