CHEBI:81605 - Pyrene-4,5-oxide

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ChEBI Name Pyrene-4,5-oxide
ChEBI ID CHEBI:81605
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H10O
Net Charge 0
Average Mass 218.25000
Monoisotopic Mass 218.07316
InChI InChI=1S/C16H10O/c1-3-9-7-8-10-4-2-6-12-14(10)13(9)11(5-1)15-16(12)17-15/h1-8,15-16H
InChIKey RJCXKHSGIOKCID-UHFFFAOYSA-N
SMILES O1C2C1c1cccc3ccc4cccc2c4c13
Roles Classification
Biological Role(s): xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
(via phenanthrenes )
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ChEBI Ontology
Outgoing Pyrene-4,5-oxide (CHEBI:81605) is a phenanthrenes (CHEBI:25961)
Synonym Source
Pyrene-4,5-epoxide KEGG COMPOUND
Manual Xref Database
C18254 KEGG COMPOUND
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Registry Number Type Source
37496-00-7 CAS Registry Number KEGG COMPOUND