CHEBI:108030 - 4-(3-chlorophenyl)-2-oxo-3-(2-quinolinyl)-3-butenoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-(3-chlorophenyl)-2-oxo-3-(2-quinolinyl)-3-butenoic acid
ChEBI ID CHEBI:108030
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C19H12ClNO3
Net Charge 0
Average Mass 337.757
Monoisotopic Mass 337.05057
InChI InChI=1S/C19H12ClNO3/c20-14-6-3-4-12(10-14)11-15(18(22)19(23)24)17-9-8-13-5-1-2-7-16(13)21-17/h1-11H,(H,23,24)
InChIKey DWKGOIIGYLCWPS-UHFFFAOYSA-N
SMILES C1=CC=C2C(=C1)C=CC(=N2)C(=CC3=CC(=CC=C3)Cl)C(=O)C(=O)O
ChEBI Ontology
Outgoing 4-(3-chlorophenyl)-2-oxo-3-(2-quinolinyl)-3-butenoic acid (CHEBI:108030) has functional parent cinnamic acid (CHEBI:27386)
4-(3-chlorophenyl)-2-oxo-3-(2-quinolinyl)-3-butenoic acid (CHEBI:108030) is a olefinic compound (CHEBI:78840)
Manual Xref Database
LSM-19407 LINCS
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