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CHEBI:187385 - 1,2-Benzenediol, 4-[[4-(4-fluorophenyl)-3-piperidinyl]methoxy]-, (3S-trans)-

ChEBI IDCHEBI:187385
ChEBI Name1,2-Benzenediol, 4-[[4-(4-fluorophenyl)-3-piperidinyl]methoxy]-, (3S-trans)-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20FNO3
Net Charge0
Average Mass317.360
Monoisotopic Mass317.14272
SMILESOc1ccc(OC[C@@H]2CNCC[C@H]2c2ccc(F)cc2)cc1O
InChIInChI=1S/C18H20FNO3/c19-14-3-1-12(2-4-14)16-7-8-20-10-13(16)11-23-15-5-6-17(21)18(22)9-15/h1-6,9,13,16,20-22H,7-8,10-11H2/t13-,16-/m0/s1
InChIKeyVJMXXTJAPJRAQL-BBRMVZONSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
1,2-Benzenediol, 4-[[4-(4-fluorophenyl)-3-piperidinyl]methoxy]-, (3S-trans)- (CHEBI:187385) is a piperidines (CHEBI:26151)
IUPAC Name 
4-[[(3S,4R)-4-(4-luorophenyl)piperidin-3-yl]methoxy]benzene-1,2-diol
Manual XrefsDatabases
58994970ChemSpider
Registry NumbersSources
CAS:159126-30-4ChemIDplus