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CHEBI:230868 - Antofloxacin

ChEBI IDCHEBI:230868
ChEBI NameAntofloxacin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H21FN4O4
Net Charge0
Average Mass376.388
Monoisotopic Mass376.15468
SMILESC[C@H]1COc2c(N3CCN(C)CC3)c(F)c(N)c3c(=O)c(C(=O)O)cn1c23
InChIInChI=1S/C18H21FN4O4/c1-9-8-27-17-14-11(16(24)10(18(25)26)7-23(9)14)13(20)12(19)15(17)22-5-3-21(2)4-6-22/h7,9H,3-6,8,20H2,1-2H3,(H,25,26)/t9-/m0/s1
InChIKeyMHFCVNDHFSOKMK-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Antofloxacin (CHEBI:230868) is a quinolines (CHEBI:26513)
IUPAC Name 
(2S)-8-amino-7-luoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Manual XrefsDatabases
32697750ChemSpider