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

Default Structure
ChEBI IDCHEBI:81626
ChEBI Namebenzo[a]pyrene-cis-7,8-dihydrodiol
Stars
ASCII Namebenzo[a]pyrene-cis-7,8-dihydrodiol
Last Modified3 September 2015
DownloadsMolfile
FormulaC20H14O2
Net Charge0
Average Mass286.330
Monoisotopic Mass286.09938
SMILESO[C@@H]1c2cc3ccc4cccc5ccc(c2C=C[C@@H]1O)c3c45
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/t17-,20+/m0/s1
InChIKeyYDXRLMMGARHIIC-FXAWDEMLSA-N
ChEBI Ontology
Outgoing Relation(s)
benzo[a]pyrene-cis-7,8-dihydrodiol (CHEBI:81626) is a pyrenes (CHEBI:59659)
Incoming Relation(s)
benzo[a]pyrene-7,8-dione (CHEBI:87752) has functional parent benzo[a]pyrene-cis-7,8-dihydrodiol (CHEBI:81626)
Manual XrefsDatabases
C18275KEGG COMPOUND