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CHEBI:34564 - Benzo[a]pyrene-9,10-oxide

ChEBI IDCHEBI:34564
ChEBI NameBenzo[a]pyrene-9,10-oxide
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC20H12O
Net Charge0
Average Mass268.315
Monoisotopic Mass268.08882
SMILESC1=CC2OC2c2c1cc1ccc3cccc4ccc2c1c34
InChIInChI=1S/C20H12O/c1-2-11-4-5-13-10-14-7-9-16-20(21-16)19(14)15-8-6-12(3-1)17(11)18(13)15/h1-10,16,20H
InChIKeyGOEJUYABKOTLJA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
ChEBI Ontology
Outgoing Relation(s)
Benzo[a]pyrene-9,10-oxide (CHEBI:34564) is a pyrenes (CHEBI:59659)
Synonyms  Source
Benzo[a]pyrene-9,10-oxideKEGG COMPOUND
Benzo[a]pyrene-9,10-epoxideKEGG COMPOUND
Manual XrefsDatabases
C14849KEGG COMPOUND
HMDB0060090HMDB
Registry NumbersSources
CAS:36504-66-2KEGG COMPOUND