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CHEBI:34513 - 9-Hydroxybenzo[a]pyrene-4,5-oxide

ChEBI IDCHEBI:34513
ChEBI Name9-Hydroxybenzo[a]pyrene-4,5-oxide
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC20H12O2
Net Charge0
Average Mass284.314
Monoisotopic Mass284.08373
SMILESOc1ccc2cc3c4c(ccc5cccc(c54)C4OC34)c2c1
InChIInChI=1S/C20H12O2/c21-12-6-4-11-8-16-18-13(15(11)9-12)7-5-10-2-1-3-14(17(10)18)19-20(16)22-19/h1-9,19-21H
InChIKeyQMJJLPWCBGOGAF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
ChEBI Ontology
Outgoing Relation(s)
9-Hydroxybenzo[a]pyrene-4,5-oxide (CHEBI:34513) is a carbopolycyclic compound (CHEBI:35294)
Synonyms  Source
9-Hydroxybenzo[a]pyrene-4,5-oxideKEGG COMPOUND
9-Hydroxybenzo[a]pyrene-4,5-epoxideKEGG COMPOUND
Manual XrefsDatabases
C14854KEGG COMPOUND
HMDB0062439HMDB
Registry NumbersSources
CAS:61133-85-5KEGG COMPOUND