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

ChEBI IDCHEBI:81637
ChEBI NameBenzo[a]pyrene-11,12-epoxide
Stars
DownloadsMolfile
FormulaC20H12O
Net Charge0
Average Mass268.315
Monoisotopic Mass268.08882
SMILESc1ccc2c3c4c(ccc5cccc(c54)C4OC34)cc2c1
InChIInChI=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
InChIKeyISBWKKKMLFVMHH-UHFFFAOYSA-N
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
Benzo[a]pyrene-11,12-epoxide (CHEBI:81637) is a phenanthrenes (CHEBI:25961)
Manual XrefsDatabases
C18286KEGG COMPOUND
Registry NumbersSources
CAS:60448-19-3KEGG COMPOUND