CHEBI:177507 - treloxinate

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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 treloxinate
ChEBI ID CHEBI:177507
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H12Cl2O4
Net Charge 0
Average Mass 339.170
Monoisotopic Mass 338.01126
InChI InChI=1S/C16H12Cl2O4/c1-20-15(19)16-21-13-4-2-11(17)7-9(13)6-10-8-12(18)3-5-14(10)22-16/h2-5,7-8,16H,6H2,1H3
InChIKey BORQIQWYKSNHKN-UHFFFAOYSA-N
SMILES ClC1=CC=2CC3=C(OC(OC2C=C1)C(OC)=O)C=CC(Cl)=C3
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing treloxinate (CHEBI:177507) is a organochlorine compound (CHEBI:36683)
IUPAC Name
methyl 3,7-dichloro-5H-benzo[d][1,3]benzodioxocine-11-carboxylate
Manual Xrefs Databases
32817 ChemSpider
D06209 KEGG DRUG
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Registry Number Type Source
30910-27-1 CAS Registry Number ChemIDplus