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CHEBI:81605 - Pyrene-4,5-oxide

ChEBI IDCHEBI:81605
ChEBI NamePyrene-4,5-oxide
Stars
DownloadsMolfile
FormulaC16H10O
Net Charge0
Average Mass218.255
Monoisotopic Mass218.07316
SMILESc1cc2c3c(c1)ccc1cccc(c13)C1OC21
InChIInChI=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
InChIKeyRJCXKHSGIOKCID-UHFFFAOYSA-N
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
Pyrene-4,5-oxide (CHEBI:81605) is a phenanthrenes (CHEBI:25961)
Synonym  Source
Pyrene-4,5-epoxideKEGG COMPOUND
Manual XrefsDatabases
C18254KEGG COMPOUND
Registry NumbersSources
CAS:37496-00-7KEGG COMPOUND