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CHEBI:81603 - Phenanthrene-4,5-dicarboxylate

ChEBI IDCHEBI:81603
ChEBI NamePhenanthrene-4,5-dicarboxylate
Stars
DownloadsMolfile
FormulaC16H10O4
Net Charge0
Average Mass266.252
Monoisotopic Mass266.05791
SMILESO=C(O)c1cccc2ccc3cccc(C(=O)O)c3c12
InChIInChI=1S/C16H10O4/c17-15(18)11-5-1-3-9-7-8-10-4-2-6-12(16(19)20)14(10)13(9)11/h1-8H,(H,17,18)(H,19,20)
InChIKeyRAGXPRCIICFJIK-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)
Phenanthrene-4,5-dicarboxylate (CHEBI:81603) is a phenanthrenes (CHEBI:25961)
Manual XrefsDatabases
C18252KEGG COMPOUND
Registry NumbersSources
CAS:5462-82-8KEGG COMPOUND