EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:81627 - Benzo[a]pyrene-cis-9,10-dihydrodiol

ChEBI IDCHEBI:81627
ChEBI NameBenzo[a]pyrene-cis-9,10-dihydrodiol
Stars
DownloadsMolfile
FormulaC20H14O2
Net Charge0
Average Mass286.330
Monoisotopic Mass286.09938
SMILESO[C@@H]1C=Cc2cc3ccc4cccc5ccc(c2[C@@H]1O)c3c45
InChIInChI=1S/C20H14O2/c21-16-9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(18(13)17(11)12)19(14)20(16)22/h1-10,16,20-22H/t16-,20-/m1/s1
InChIKeyGHARBPKRUUKTCI-OXQOHEQNSA-N
ChEBI Ontology
Outgoing Relation(s)
Benzo[a]pyrene-cis-9,10-dihydrodiol (CHEBI:81627) is a pyrenes (CHEBI:59659)
Manual XrefsDatabases
C18276KEGG COMPOUND
Registry NumbersSources
CAS:56484-47-0KEGG COMPOUND