CHEBI:81626 - benzo[a]pyrene-cis-7,8-dihydrodiol

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ChEBI Name benzo[a]pyrene-cis-7,8-dihydrodiol ChEBI ID CHEBI:81626 ChEBI ASCII Name benzo[a]pyrene-cis-7,8-dihydrodiol Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H14O2 Net Charge 0 Average Mass 286.32400 Monoisotopic Mass 286.09938 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/t17-,20+/m0/s1 InChIKey YDXRLMMGARHIIC-FXAWDEMLSA-N SMILES O[C@H]1C=Cc2c(cc3ccc4cccc5ccc2c3c45)[C@H]1O ChEBI Ontology Outgoing benzo[a]pyrene-cis-7,8-dihydrodiol (CHEBI:81626) is a pyrenes (CHEBI:59659) Incoming benzo[a]pyrene-7,8-dione (CHEBI:87752) has functional parent benzo[a]pyrene-cis-7,8-dihydrodiol (CHEBI:81626) Manual Xref Database C18275 KEGG COMPOUND View more database links Last Modified 03 September 2015