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CHEBI:132405 - chrysen-3-ol

ChEBI IDCHEBI:132405
ChEBI Namechrysen-3-ol
Stars
DefinitionA hydroxychrysene that is chrysene in which the hydrogen at position 3 has been replaced by a hydroxy group.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
SMILESOc1ccc2ccc3c4ccccc4ccc3c2c1
InChIInChI=1S/C18H12O/c19-14-8-5-13-7-9-16-15-4-2-1-3-12(15)6-10-17(16)18(13)11-14/h1-11,19H
InChIKeyPULKTNQKGZNFNB-UHFFFAOYSA-N
Roles Classification
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
chrysen-3-ol (CHEBI:132405) has role xenobiotic metabolite (CHEBI:76206)
chrysen-3-ol (CHEBI:132405) is a hydroxychrysene (CHEBI:132400)
IUPAC Name 
chrysen-3-ol
Synonyms  Source
3-chrysenolChemIDplus
3-hydroxychryseneChemIDplus
Registry NumbersSources
Reaxys:3295572Reaxys
CAS:63019-39-6ChemIDplus
Citations