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CHEBI:16760 - phenanthrene-3,4-diol

ChEBI IDCHEBI:16760
ChEBI Namephenanthrene-3,4-diol
Stars
Secondary ChEBI IDsCHEBI:8053, CHEBI:14776, CHEBI:19887, CHEBI:25954
Last Modified27 January 2016
DownloadsMolfile
FormulaC14H10O2
Net Charge0
Average Mass210.232
Monoisotopic Mass210.06808
SMILESOc1ccc2ccc3ccccc3c2c1O
InChIInChI=1S/C14H10O2/c15-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)14(12)16/h1-8,15-16H
InChIKeyRLZZZVKAURTHCP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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-3,4-diol (CHEBI:16760) has role mouse metabolite (CHEBI:75771)
phenanthrene-3,4-diol (CHEBI:16760) is a phenanthrenediol (CHEBI:37453)
Incoming Relation(s)
3,4-dihydrophenanthrene-3,4-diol (CHEBI:37464) has functional parent phenanthrene-3,4-diol (CHEBI:16760)
3,4-phenanthrenediyl bissulfate (CHEBI:25953) has functional parent phenanthrene-3,4-diol (CHEBI:16760)
IUPAC Name 
phenanthrene-3,4-diol
Synonyms  Source
Phenanthrene-3,4-diolKEGG COMPOUND
3,4-DihydroxyphenanthreneKEGG COMPOUND
3,4-phenanthrenediolChemIDplus
MorpholChemIDplus
3,4-dihydroxyphenanthreneUM-BBD
UniProt Name  Source
phenanthrene-3,4-diolUniProt
Manual XrefsDatabases
C03164KEGG COMPOUND
c0435UM-BBD
Registry NumbersSources
Beilstein:2266540Beilstein
CAS:478-71-7ChemIDplus