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CHEBI:192570 - AKB48 N-(4-fluorobenzyl) analog

ChEBI IDCHEBI:192570
ChEBI NameAKB48 N-(4-fluorobenzyl) analog
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26FN3O
Net Charge0
Average Mass403.501
Monoisotopic Mass403.20599
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1nn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C25H26FN3O/c26-20-7-5-16(6-8-20)15-29-22-4-2-1-3-21(22)23(28-29)24(30)27-25-12-17-9-18(13-25)11-19(10-17)14-25/h1-8,17-19H,9-15H2,(H,27,30)
InChIKeyMWBHSNBPUSKVDD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
ChEBI Ontology
Outgoing Relation(s)
AKB48 N-(4-fluorobenzyl) analog (CHEBI:192570) is a aromatic amide (CHEBI:62733)
AKB48 N-(4-fluorobenzyl) analog (CHEBI:192570) is a indazoles (CHEBI:38769)
IUPAC Name 
N-(1-adamantyl)-1-[(4-luorophenyl)methyl]indazole-3-carboxamide
Manual XrefsDatabases
52085067ChemSpider
Registry NumbersSources
CAS:2180933-90-6ChemIDplus