CHEBI:132405 - chrysen-3-ol

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ChEBI Name chrysen-3-ol ChEBI ID CHEBI:132405 Definition A hydroxychrysene that is chrysene in which the hydrogen at position 3 has been replaced by a hydroxy group.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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H12O Net Charge 0 Average Mass 244.288 Monoisotopic Mass 244.08882 InChI InChI=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 InChIKey PULKTNQKGZNFNB-UHFFFAOYSA-N SMILES C=1C=CC=C2C3=CC=C4C=CC(=CC4=C3C=CC21)O Roles Classification Biological Role(s): xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources 3-chrysenol ChemIDplus 3-hydroxychrysene ChemIDplus Registry Numbers Types Sources 3295572 Reaxys Registry Number Reaxys 63019-39-6 CAS Registry Number ChemIDplus Citations Types Sources 2228141 PubMed citation Europe PMC 2322951 PubMed citation Europe PMC 24177434 PubMed citation Europe PMC 25461072 PubMed citation Europe PMC 25659315 PubMed citation Europe PMC 3524815 PubMed citation Europe PMC 3581051 PubMed citation Europe PMC Last Modified 06 July 2016