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CHEBI:34563 - Benzo[a]pyrene-7,8-oxide

Default Structure
ChEBI IDCHEBI:34563
ChEBI NameBenzo[a]pyrene-7,8-oxide
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC20H12O
Net Charge0
Average Mass268.315
Monoisotopic Mass268.08882
SMILESC1=CC2OC2c2cc3ccc4cccc5ccc(c21)c3c45
InChIInChI=1S/C20H12O/c1-2-11-4-5-13-10-16-14(8-9-17-20(16)21-17)15-7-6-12(3-1)18(11)19(13)15/h1-10,17,20H
InChIKeyOLLMQFHYRYHKTD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
ChEBI Ontology
Outgoing Relation(s)
Benzo[a]pyrene-7,8-oxide (CHEBI:34563) is a pyrenes (CHEBI:59659)
Synonyms  Source
Benzo[a]pyrene-7,8-epoxideKEGG COMPOUND
Benzo[a]pyrene-7,8-oxideKEGG COMPOUND
Manual XrefsDatabases
C14850KEGG COMPOUND
HMDB0060439HMDB
Registry NumbersSources
CAS:36504-65-1KEGG COMPOUND