CHEBI:228731 - 3-(4-chlorophenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 3-(4-chlorophenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
ChEBI ID CHEBI:228731
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H9ClN2O3
Net Charge 0
Average Mass 300.700
Monoisotopic Mass 300.03017
InChI InChI=1S/C15H9ClN2O3/c16-9-5-7-10(8-6-9)18-14(19)12-4-2-1-3-11(12)13(17-18)15(20)21/h1-8H,(H,20,21)
InChIKey BGEBUJJAUHQRGW-UHFFFAOYSA-N
SMILES ClC1=CC=C(N2N=C(C=3C(C2=O)=CC=CC3)C(O)=O)C=C1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study
ChEBI Ontology
Outgoing 3-(4-chlorophenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid (CHEBI:228731) is a phthalazines (CHEBI:38768)
IUPAC Name
3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid
Manual Xref Database
2084449 ChemSpider
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