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CHEBI:132391 - chrysen-1-ol

ChEBI IDCHEBI:132391
ChEBI Namechrysen-1-ol
Stars
DefinitionA hydroxychrysene that is chrysene in which the hydrogen at position 1 has been replaced by a hydroxy group.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
SMILESOc1cccc2c1ccc1c3ccccc3ccc21
InChIInChI=1S/C18H12O/c19-18-7-3-6-14-16-9-8-12-4-1-2-5-13(12)15(16)10-11-17(14)18/h1-11,19H
InChIKeyISHBWEUQYFEVES-UHFFFAOYSA-N
Roles Classification
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
chrysen-1-ol (CHEBI:132391) has role xenobiotic metabolite (CHEBI:76206)
chrysen-1-ol (CHEBI:132391) is a hydroxychrysene (CHEBI:132400)
IUPAC Name 
chrysen-1-ol
Synonyms  Source
1-chrysenolChemIDplus
1-hydroxychryseneChemIDplus
Registry NumbersSources
Reaxys:3135600Reaxys
CAS:63019-38-5ChemIDplus
Citations