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

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ChEBI Name 7,8-Dihydropyrene-8-carboxylate
ChEBI ID CHEBI:81624
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H12O2
Net Charge 0
Average Mass 248.27600
Monoisotopic Mass 248.08373
InChI InChI=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)
InChIKey KJCULGPSFZKSBJ-UHFFFAOYSA-N
SMILES OC(=O)C1CC=c2ccc3cccc4ccc1c2c34
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 7,8-Dihydropyrene-8-carboxylate (CHEBI:81624) is a phenanthrenes (CHEBI:25961)
Synonym Source
1,2-Dihydropyrene-1-carboxylate KEGG COMPOUND
Manual Xref Database
C18273 KEGG COMPOUND
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