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CHEBI:28752 - 3,4-dihydroxyfluorene

Default Structure
ChEBI IDCHEBI:28752
ChEBI Name3,4-dihydroxyfluorene
Stars
DefinitionA member of the class of hydroxyfluorenes that is 9H-fluorene substituted by hydroxy groups at positions 3 and 4.
Secondary ChEBI IDsCHEBI:1381, CHEBI:19882
Last Modified19 April 2017
DownloadsMolfile
FormulaC13H10O2
Net Charge0
Average Mass198.221
Monoisotopic Mass198.06808
SMILESOc1ccc2c(c1O)-c1ccccc1C2
InChIInChI=1S/C13H10O2/c14-11-6-5-9-7-8-3-1-2-4-10(8)12(9)13(11)15/h1-6,14-15H,7H2
InChIKeyOOGFPMKHMOAMMY-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)
3,4-dihydroxyfluorene (CHEBI:28752) has role mouse metabolite (CHEBI:75771)
3,4-dihydroxyfluorene (CHEBI:28752) is a hydroxyfluorenes (CHEBI:24699)
IUPAC Name 
9H-fluorene-3,4-diol
Manual XrefsDatabases
C07717KEGG COMPOUND
Registry NumbersSources
Reaxys:2107547Reaxys
CAS:42523-20-6KEGG COMPOUND