4-Chloro-6,7-dimethoxy-2-benzoxazolinone (CHEBI:172468)

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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	4-Chloro-6,7-dimethoxy-2-benzoxazolinone

ChEBI ID	CHEBI:172468

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H8ClNO4

Net Charge

Average Mass

229.620

Monoisotopic Mass

229.01419

InChI

InChI=1S/C9H8ClNO4/c1-13-5-3-4(10)6-8(7(5)14-2)15-9(12)11-6/h3H,1-2H3,(H,11,12)

InChIKey

VTZLLYJSIAQXFJ-UHFFFAOYSA-N

SMILES

ClC1=C2NC(OC2=C(OC)C(OC)=C1)=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). See: MetaboLights Study

ChEBI Ontology
Outgoing	4-Chloro-6,7-dimethoxy-2-benzoxazolinone (CHEBI:172468) is a benzoxazole (CHEBI:46700)

IUPAC Name

4-chloro-6,7-dimethoxy-3H-1,3-benzoxazol-2-one