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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Benzo[a]pyrene-7,8-diol
ChEBI ID CHEBI:34562
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H14O2
Net Charge 0
Average Mass 286.325
Monoisotopic Mass 286.099
InChI InChI=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
InChIKey YDXRLMMGARHIIC-UHFFFAOYSA-N
SMILES OC1C=Cc2c(cc3ccc4cccc5ccc2c3c45)C1O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
ChEBI Ontology
Outgoing Benzo[a]pyrene-7,8-diol (CHEBI:34562) is a pyrenes (CHEBI:59659)
Synonyms Sources
Benzo[a]pyrene-7,8-dihydrodiol KEGG COMPOUND
Benzo[a]pyrene-7,8-diol KEGG COMPOUND
Manual Xref Database
C14852 KEGG COMPOUND
View more database links
Registry Number Type Source
13345-25-0 CAS Registry Number KEGG COMPOUND
Last Modified
27 January 2016