CHEBI:81796 - Chlorophacinone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Chlorophacinone
ChEBI ID CHEBI:81796
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H15ClO3
Net Charge 0
Average Mass 374.81600
Monoisotopic Mass 374.07097
InChI InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H
InChIKey UDHXJZHVNHGCEC-UHFFFAOYSA-N
SMILES Clc1ccc(cc1)C(C(=O)C1C(=O)c2ccccc2C1=O)c1ccccc1
ChEBI Ontology
Outgoing Chlorophacinone (CHEBI:81796) is a β-triketone (CHEBI:140323)
Chlorophacinone (CHEBI:81796) is a diarylmethane (CHEBI:51614)
Manual Xrefs Databases
146 PPDB
C18514 KEGG COMPOUND
View more database links
Registry Number Type Source
3691-35-8 CAS Registry Number KEGG COMPOUND
Last Modified
04 March 2018