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CHEBI:228426 - 1-(1,3-benzodioxol-5-yl)-2-[4-(9H-fluoren-9-yl)piperazino]-1-ethanone

ChEBI IDCHEBI:228426
ChEBI Name1-(1,3-benzodioxol-5-yl)-2-[4-(9H-fluoren-9-yl)piperazino]-1-ethanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H24N2O3
Net Charge0
Average Mass412.489
Monoisotopic Mass412.17869
SMILESO=C(CN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C26H24N2O3/c29-23(18-9-10-24-25(15-18)31-17-30-24)16-27-11-13-28(14-12-27)26-21-7-3-1-5-19(21)20-6-2-4-8-22(20)26/h1-10,15,26H,11-14,16-17H2
InChIKeyJDEFSHDRTXLRDO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
1-(1,3-benzodioxol-5-yl)-2-[4-(9H-fluoren-9-yl)piperazino]-1-ethanone (CHEBI:228426) is a fluorenes (CHEBI:24059)
IUPAC Name 
1-(1,3-benzodioxol-5-yl)-2-[4-(9H-luoren-9-yl)piperazin-1-yl]ethanone
Manual XrefsDatabases
2093887ChemSpider