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CHEBI:188895 - N-Methylspiperone

ChEBI IDCHEBI:188895
ChEBI NameN-Methylspiperone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28FN3O2
Net Charge0
Average Mass409.505
Monoisotopic Mass409.21656
SMILESCN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C24H28FN3O2/c1-26-18-28(21-6-3-2-4-7-21)24(23(26)30)13-16-27(17-14-24)15-5-8-22(29)19-9-11-20(25)12-10-19/h2-4,6-7,9-12H,5,8,13-18H2,1H3
InChIKeyQHJLPOSPWKZACG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
N-Methylspiperone (CHEBI:188895) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
8-[4-(4-luorophenyl)-4-oxobutyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Manual XrefsDatabases
106447ChemSpider
Registry NumbersSources
CAS:87539-19-3ChemIDplus