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CHEBI:34560 - Benzo[a]pyrene-4,5-oxide

ChEBI IDCHEBI:34560
ChEBI NameBenzo[a]pyrene-4,5-oxide
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC20H12O
Net Charge0
Average Mass268.315
Monoisotopic Mass268.08882
SMILESc1ccc2c(c1)cc1c3c2ccc2cccc(c23)C2OC12
InChIInChI=1S/C20H12O/c1-2-6-13-12(4-1)10-16-18-14(13)9-8-11-5-3-7-15(17(11)18)19-20(16)21-19/h1-10,19-20H
InChIKeyXGZQLNASOQVQTD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
ChEBI Ontology
Outgoing Relation(s)
Benzo[a]pyrene-4,5-oxide (CHEBI:34560) is a carbopolycyclic compound (CHEBI:35294)
Synonyms  Source
Benzo[a]pyrene-4,5-oxideKEGG COMPOUND
Benzo[a]pyrene-4,5-epoxideKEGG COMPOUND
Manual XrefsDatabases
C14851KEGG COMPOUND
HMDB0060091HMDB
Registry NumbersSources
CAS:37574-47-3KEGG COMPOUND