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CHEBI:81637 - Benzo[a]pyrene-11,12-epoxide
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ChEBI Ontology
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ChEBI Name
Benzo[a]pyrene-11,12-epoxide
ChEBI ID
CHEBI:81637
Stars
This entity has been manually annotated by a third party.
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Formula
C20H12O
Net Charge
0
Average Mass
268.30870
Monoisotopic Mass
268.08882
InChI
InChI=1S/C20H12O/c1-
2-
6-
14-
12(4-
1)
10-
13-
9-
8-
11-
5-
3-
7-
15-
16(11)
17(13)
18(14)
20-
19(15)
21-
20/h1-
10,19-
20H
InChIKey
ISBWKKKMLFVMHH-UHFFFAOYSA-N
SMILES
O1C2C1c1c3ccccc3cc3ccc4cccc2c4c13
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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Benzo[a]pyrene-11,12-epoxide (
CHEBI:81637
)
is a
phenanthrenes (
CHEBI:25961
)
Manual Xref
Database
C18286
KEGG COMPOUND
View more database links
Registry Number
Type
Source
60448-19-3
CAS Registry Number
KEGG COMPOUND