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

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

ChEBI ID	CHEBI:228396

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H14ClNO3

Net Charge

Average Mass

267.710

Monoisotopic Mass

267.06622

InChI

InChI=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

InChIKey

UOHSONJXYYANQW-UHFFFAOYSA-N

SMILES

ClC1=C(O)C(=CC(NC=C(C(=O)C)C(=O)C)=C1)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

ChEBI Ontology
Outgoing	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