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CHEBI:81624 - 7,8-Dihydropyrene-8-carboxylate

Default Structure
ChEBI IDCHEBI:81624
ChEBI Name7,8-Dihydropyrene-8-carboxylate
Stars
DownloadsMolfile
FormulaC17H12O2
Net Charge0
Average Mass248.281
Monoisotopic Mass248.08373
SMILESO=C(O)C1CC=c2ccc3cccc4ccc1c2c43
InChIInChI=1S/C17H12O2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-8,14H,9H2,(H,18,19)
InChIKeyKJCULGPSFZKSBJ-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)
7,8-Dihydropyrene-8-carboxylate (CHEBI:81624) is a phenanthrenes (CHEBI:25961)
Synonym  Source
1,2-Dihydropyrene-1-carboxylateKEGG COMPOUND
Manual XrefsDatabases
C18273KEGG COMPOUND