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CHEBI:38139 - (1S,2R)-1,2-dihydronaphthalene-1,2-diol

Default Structure
ChEBI IDCHEBI:38139
ChEBI Name(1S,2R)-1,2-dihydronaphthalene-1,2-diol
Stars
ASCII Name(1S,2R)-1,2-dihydronaphthalene-1,2-diol
DefinitionA cis-1,2-dihydronaphthalene-1,2-diol with a (1S,2R)-configuration.
Last Modified3 July 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H10O2
Net Charge0
Average Mass162.188
Monoisotopic Mass162.06808
SMILESO[C@@H]1C=Cc2ccccc2[C@@H]1O
InChIInChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H/t9-,10+/m1/s1
InChIKeyQPUHWUSUBHNZCG-ZJUUUORDSA-N
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
(1S,2R)-1,2-dihydronaphthalene-1,2-diol (CHEBI:38139) is a cis-1,2-dihydronaphthalene-1,2-diol (CHEBI:15561)
(1S,2R)-1,2-dihydronaphthalene-1,2-diol (CHEBI:38139) is enantiomer of (1R,2S)-1,2-dihydronaphthalene-1,2-diol (CHEBI:44343)
Incoming Relation(s)
(1R,2S)-1,2-dihydronaphthalene-1,2-diol (CHEBI:44343) is enantiomer of (1S,2R)-1,2-dihydronaphthalene-1,2-diol (CHEBI:38139)
IUPAC Name 
(1S,2R)-1,2-dihydronaphthalene-1,2-diol
Registry NumbersSources
Reaxys:5377369Reaxys