CHEBI:81637 - Benzo[a]pyrene-11,12-epoxide

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ChEBI Name Benzo[a]pyrene-11,12-epoxide
ChEBI ID CHEBI:81637
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H12O
Net Charge 0
Average Mass 268.30870
Monoisotopic Mass 268.08882
InChI InChI=1S/C20H12O/c1-2-6-14-12(4-1)10-13-9-8-11-5-3-7-15-16(11)17(13)18(14)20-19(15)21-20/h1-10,19-20H
InChIKey ISBWKKKMLFVMHH-UHFFFAOYSA-N
SMILES O1C2C1c1c3ccccc3cc3ccc4cccc2c4c13
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 Benzo[a]pyrene-11,12-epoxide (CHEBI:81637) is a phenanthrenes (CHEBI:25961)
Manual Xref Database
C18286 KEGG COMPOUND
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Registry Number Type Source
60448-19-3 CAS Registry Number KEGG COMPOUND