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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:81605 - Pyrene-4,5-oxide
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ChEBI Ontology
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ChEBI Name
Pyrene-4,5-oxide
ChEBI ID
CHEBI:81605
Stars
This entity has been manually annotated by a third party.
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Formula
C16H10O
Net Charge
0
Average Mass
218.25000
Monoisotopic Mass
218.07316
InChI
InChI=1S/C16H10O/c1-3-9-7-8-10-4-2-6-12-14(10)13(9)11(5-1)15-16(12)17-15/h1-8,15-16H
InChIKey
RJCXKHSGIOKCID-UHFFFAOYSA-N
SMILES
O1C2C1c1cccc3ccc4cccc2c4c13
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
Pyrene-4,5-oxide (
CHEBI:81605
)
is a
phenanthrenes (
CHEBI:25961
)
Synonym
Source
Pyrene-4,5-epoxide
KEGG COMPOUND
Manual Xref
Database
C18254
KEGG COMPOUND
View more database links
Registry Number
Type
Source
37496-00-7
CAS Registry Number
KEGG COMPOUND