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CHEBI:166580 - Nequinate

ChEBI IDCHEBI:166580
ChEBI NameNequinate
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SubmitterMetaboLights
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FormulaC22H23NO4
Net Charge0
Average Mass365.429
Monoisotopic Mass365.16271
SMILESCCCCc1cc2c(=O)c(C(=O)OC)cnc2cc1OCc1ccccc1
InChIInChI=1S/C22H23NO4/c1-3-4-10-16-11-17-19(23-13-18(21(17)24)22(25)26-2)12-20(16)27-14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,24)
InChIKeyNNOPDLNHPOLRRE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Nequinate (CHEBI:166580) is a quinolines (CHEBI:26513)
IUPAC Name 
methyl 6-butyl-4-oxo-7-phenylmethoxy-1H-quinoline-3-carboxylate
Manual XrefsDatabases
24579ChemSpider
D05144KEGG DRUG
HMDB0031754HMDB
DB11433DrugBank
Registry NumbersSources
CAS:13997-19-8ChemIDplus