CHEBI:81635 - Benzo[a]pyrene-cis-11,12-dihydrodiol

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ChEBI Name Benzo[a]pyrene-cis-11,12-dihydrodiol
ChEBI ID CHEBI:81635
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H14O2
Net Charge 0
Average Mass 286.32400
Monoisotopic Mass 286.09938
InChI InChI=1S/C20H14O2/c21-19-15-7-3-5-11-8-9-13-10-12-4-1-2-6-14(12)18(20(19)22)17(13)16(11)15/h1-10,19-22H/t19-,20+/m1/s1
InChIKey SGHZUKBSLLOHPU-UXHICEINSA-N
SMILES O[C@H]1[C@@H](O)c2c3ccccc3cc3ccc4cccc1c4c23
Roles Classification
Biological Role(s): xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
(via phenanthrenes )
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ChEBI Ontology
Outgoing Benzo[a]pyrene-cis-11,12-dihydrodiol (CHEBI:81635) is a phenanthrol (CHEBI:25962)
Manual Xref Database
C18284 KEGG COMPOUND
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Registry Number Type Source
64283-13-2 CAS Registry Number KEGG COMPOUND