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CHEBI:132407 - chrysen-6-ol

ChEBI IDCHEBI:132407
ChEBI Namechrysen-6-ol
Stars
DefinitionA hydroxychrysene that is chrysene in which the hydrogen at position 6 has been replaced by a hydroxy group.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
SMILESOc1cc2c3ccccc3ccc2c2ccccc12
InChIInChI=1S/C18H12O/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11,19H
InChIKeyVXFDOYXVHRYCGS-UHFFFAOYSA-N
Roles Classification
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
chrysen-6-ol (CHEBI:132407) has role xenobiotic metabolite (CHEBI:76206)
chrysen-6-ol (CHEBI:132407) is a hydroxychrysene (CHEBI:132400)
IUPAC Name 
chrysen-6-ol
Synonyms  Source
6-hydroxychryseneChemIDplus
6-chrysenolChemIDplus
Registry NumbersSources
Reaxys:1970026Reaxys
CAS:37515-51-8ChemIDplus