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CHEBI:228396 - 3-[(3-chloro-4-hydroxy-5-methylanilino)methylidene]pentane-2,4-dione

ChEBI IDCHEBI:228396
ChEBI Name3-[(3-chloro-4-hydroxy-5-methylanilino)methylidene]pentane-2,4-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14ClNO3
Net Charge0
Average Mass267.712
Monoisotopic Mass267.06622
SMILESCC(=O)C(=CNc1cc(C)c(O)c(Cl)c1)C(C)=O
InChIInChI=1S/C13H14ClNO3/c1-7-4-10(5-12(14)13(7)18)15-6-11(8(2)16)9(3)17/h4-6,15,18H,1-3H3
InChIKeyUOHSONJXYYANQW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
3-[(3-chloro-4-hydroxy-5-methylanilino)methylidene]pentane-2,4-dione (CHEBI:228396) is a hydroxytoluene (CHEBI:24751)
IUPAC Name 
3-[(3-chloro-4-hydroxy-5-methylanilino)methylidene]pentane-2,4-dione
Manual XrefsDatabases
2077879ChemSpider