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CHEBI:230826 - AB-Fubinaca

ChEBI IDCHEBI:230826
ChEBI NameAB-Fubinaca
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H21FN4O2
Net Charge0
Average Mass368.412
Monoisotopic Mass368.16485
SMILESCC(C)[C@H](NC(=O)c1nn(Cc2ccc(F)cc2)c2ccccc12)C(N)=O
InChIInChI=1S/C20H21FN4O2/c1-12(2)17(19(22)26)23-20(27)18-15-5-3-4-6-16(15)25(24-18)11-13-7-9-14(21)10-8-13/h3-10,12,17H,11H2,1-2H3,(H2,22,26)(H,23,27)/t17-/m0/s1
InChIKeyAKOOIMKXADOPDA-KRWDZBQOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
AB-Fubinaca (CHEBI:230826) is a aromatic amide (CHEBI:62733)
AB-Fubinaca (CHEBI:230826) is a indazoles (CHEBI:38769)
IUPAC Name 
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-[(4-luorophenyl)methyl]indazole-3-carboxamide
Manual XrefsDatabases
28537614ChemSpider