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CHEBI:33998 - (1R,2S)-naphthalene 1,2-oxide

ChEBI IDCHEBI:33998
ChEBI Name(1R,2S)-naphthalene 1,2-oxide
Stars
ASCII Name(1R,2S)-naphthalene 1,2-oxide
DefinitionA naphthalene 1,2-oxide (the 1R,2S-stereoisomer).
Last Modified14 September 2020
DownloadsMolfile
FormulaC10H8O
Net Charge0
Average Mass144.173
Monoisotopic Mass144.05751
SMILESC1=C[C@@H]2O[C@@H]2c2ccccc21
InChIInChI=1S/C10H8O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-6,9-10H/t9-,10+/m0/s1
InChIKeyXQIJIALOJPIKGX-VHSXEESVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
(1R,2S)-naphthalene 1,2-oxide (CHEBI:33998) has role mouse metabolite (CHEBI:75771)
(1R,2S)-naphthalene 1,2-oxide (CHEBI:33998) is a naphthalene 1,2-oxide (CHEBI:52431)
(1R,2S)-naphthalene 1,2-oxide (CHEBI:33998) is enantiomer of (1S,2R)-naphthalene 1,2-oxide (CHEBI:34001)
Incoming Relation(s)
(1S,2R)-naphthalene 1,2-oxide (CHEBI:34001) is enantiomer of (1R,2S)-naphthalene 1,2-oxide (CHEBI:33998)
IUPAC Name 
(1aS,7bR)-1a,7b-dihydronaphtho[1,2-b]oxirene
Synonyms  Source
(1R,2S)-Naphthalene 1,2-oxideKEGG COMPOUND
(1R,2S)-Naphthalene epoxideKEGG COMPOUND
(+)-(1R,2S)-Naphthalene epoxideChEBI
(+)-1R,2S-Naphthalene epoxideChEBI
(1R,2S)-1,2-epoxy-1,2-dihydronaphthaleneChEBI
Manual XrefsDatabases
C14786KEGG COMPOUND
Registry NumbersSources
Beilstein:4662168Beilstein
CAS:73136-20-6KEGG COMPOUND
CAS:73136-20-6ChemIDplus
Citations