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CHEBI:132406 - chrysen-4-ol

ChEBI IDCHEBI:132406
ChEBI Namechrysen-4-ol
Stars
DefinitionA hydroxychrysene that is chrysene in which the hydrogen at position 4 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene.
Last Modified6 July 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H12O
Net Charge0
Average Mass244.293
Monoisotopic Mass244.08882
SMILESOc1cccc2ccc3c4ccccc4ccc3c12
InChIInChI=1S/C18H12O/c19-17-7-3-5-13-9-10-15-14-6-2-1-4-12(14)8-11-16(15)18(13)17/h1-11,19H
InChIKeyCZCGRCFUEPALNV-UHFFFAOYSA-N
Roles Classification
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
chrysen-4-ol (CHEBI:132406) has role xenobiotic metabolite (CHEBI:76206)
chrysen-4-ol (CHEBI:132406) is a hydroxychrysene (CHEBI:132400)
IUPAC Name 
chrysen-4-ol
Synonyms  Source
4-hydroxychryseneChemIDplus
4-chrysenolChemIDplus
Registry NumbersSources
Reaxys:3294466Reaxys
CAS:63019-40-9ChemIDplus
Citations