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

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ChEBI Name Benzo[a]pyrene-cis-9,10-dihydrodiol
ChEBI ID CHEBI:81627
Stars This entity has been manually annotated by a third party.
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Formula C20H14O2
Net Charge 0
Average Mass 286.32400
Monoisotopic Mass 286.09938
InChI InChI=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
InChIKey GHARBPKRUUKTCI-OXQOHEQNSA-N
SMILES O[C@@H]1C=Cc2cc3ccc4cccc5ccc(c2[C@@H]1O)c3c45
ChEBI Ontology
Outgoing Benzo[a]pyrene-cis-9,10-dihydrodiol (CHEBI:81627) is a pyrenes (CHEBI:59659)
Manual Xref Database
C18276 KEGG COMPOUND
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Registry Number Type Source
56484-47-0 CAS Registry Number KEGG COMPOUND