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CHEBI:165202 - Fluvoxamino acid

ChEBI IDCHEBI:165202
ChEBI NameFluvoxamino acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H17F3N2O3
Net Charge0
Average Mass318.295
Monoisotopic Mass318.11913
SMILESNCCO/N=C(\CCCC(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)11-6-4-10(5-7-11)12(19-22-9-8-18)2-1-3-13(20)21/h4-7H,1-3,8-9,18H2,(H,20,21)/b19-12+
InChIKeyKUIZEDQDELAFQK-XDHOZWIPSA-N
ChEBI Ontology
Outgoing Relation(s)
Fluvoxamino acid (CHEBI:165202) is a (trifluoromethyl)benzenes (CHEBI:83565)
IUPAC Name 
(5E)-5-(2-aminoethoxyimino)-5-[4-(triluoromethyl)phenyl]pentanoic acid
Manual XrefsDatabases
22547007ChemSpider
HMDB0060950HMDB
Registry NumbersSources
CAS:84692-89-7ChemIDplus