CHEBI:228448 - 5-chloro-3-phenylbenzo[c]isoxazole

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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 5-chloro-3-phenylbenzo[c]isoxazole
ChEBI ID CHEBI:228448
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H8ClNO
Net Charge 0
Average Mass 229.660
Monoisotopic Mass 229.02944
InChI InChI=1S/C13H8ClNO/c14-10-6-7-12-11(8-10)13(16-15-12)9-4-2-1-3-5-9/h1-8H
InChIKey MUHJZJKVEQASGY-UHFFFAOYSA-N
SMILES ClC1=CC2=C(ON=C2C=C1)C3=CC=CC=C3
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study
ChEBI Ontology
Outgoing 5-chloro-3-phenylbenzo[c]isoxazole (CHEBI:228448) is a organochlorine compound (CHEBI:36683)
IUPAC Name
5-chloro-3-phenyl-2,1-benzoxazole
Manual Xref Database
308146 ChemSpider
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