CHEBI:44343 - (1R,2S)-1,2-dihydronaphthalene-1,2-diol

ChEBI IDCHEBI:44343
ChEBI Name(1R,2S)-1,2-dihydronaphthalene-1,2-diol
Stars
ASCII Name(1R,2S)-1,2-dihydronaphthalene-1,2-diol
DefinitionThe cis-1,2-dihydronaphthalene-1,2-diol with a (1R,2S)-configuration.
Secondary ChEBI IDsCHEBI:10826, CHEBI:44340
Last Modified24 March 2015
DownloadsMolfile
FormulaC10H10O2
Net Charge0
Average Mass162.188
Monoisotopic Mass162.06808
SMILESO[C@@H]1c2ccccc2C=C[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+/m0/s1
InChIKeyQPUHWUSUBHNZCG-VHSXEESVSA-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)
(1R,2S)-1,2-dihydronaphthalene-1,2-diol (CHEBI:44343) is a cis-1,2-dihydronaphthalene-1,2-diol (CHEBI:15561)
(1R,2S)-1,2-dihydronaphthalene-1,2-diol (CHEBI:44343) is enantiomer of (1S,2R)-1,2-dihydronaphthalene-1,2-diol (CHEBI:38139)
Incoming Relation(s)
(1S,2R)-1,2-dihydronaphthalene-1,2-diol (CHEBI:38139) is enantiomer of (1R,2S)-1,2-dihydronaphthalene-1,2-diol (CHEBI:44343)
IUPAC Name 
(1R,2S)-1,2-dihydronaphthalene-1,2-diol
Synonyms  Source
(1R,2S)-1,2-Dihydronaphthalene-1,2-diolKEGG COMPOUND
(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-DIHYDRONAPHTHALENEPDBeChem
UniProt Name  Source
(1R,2S)-1,2-dihydronaphthalene-1,2-diolUniProt
Manual XrefsDatabases
C04314KEGG COMPOUND
NDHPDBeChem
DB08264DrugBank
Registry NumbersSources
Beilstein:1909468Beilstein
Reaxys:1909468Reaxys