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CHEBI:34562 - Benzo[a]pyrene-7,8-diol

Default Structure
ChEBI IDCHEBI:34562
ChEBI NameBenzo[a]pyrene-7,8-diol
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC20H14O2
Net Charge0
Average Mass286.330
Monoisotopic Mass286.09938
SMILESOC1C=Cc2c(cc3ccc4cccc5ccc2c3c45)C1O
InChIInChI=1S/C20H14O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H
InChIKeyYDXRLMMGARHIIC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
ChEBI Ontology
Outgoing Relation(s)
Benzo[a]pyrene-7,8-diol (CHEBI:34562) is a pyrenes (CHEBI:59659)
Synonyms  Source
Benzo[a]pyrene-7,8-dihydrodiolKEGG COMPOUND
Benzo[a]pyrene-7,8-diolKEGG COMPOUND
Manual XrefsDatabases
C14852KEGG COMPOUND
HMDB0060438HMDB
Registry NumbersSources
CAS:13345-25-0KEGG COMPOUND