Showing metabocard for (1R,2S)-Naphthalene 1,2-oxide (MMDBc0029942)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-17 23:47:44 UTC
Update Date2022-08-31 17:37:49 UTC
MiMeDB IDMMDBc0029942
Metabolite Identification
Common Name(1R,2S)-Naphthalene 1,2-oxide
Description(1r,2s)-naphthalene 1,2-oxide belongs to the class of Naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x000055b76dd19280>

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3D MOL for #<Metabolite:0x000055b76dd19280>

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3D SDF for #<Metabolite:0x000055b76dd19280>

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3D-SDF for #<Metabolite:0x000055b76dd19280>

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PDB for #<Metabolite:0x000055b76dd19280>

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3D PDB for #<Metabolite:0x000055b76dd19280>

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SMILES for #<Metabolite:0x000055b76dd19280>

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INCHI for #<Metabolite:0x000055b76dd19280>

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Synonyms
ValueSource
1,2-Epoxy-1,2-dihydro-naphthaleneChEBI
1,2-Epoxy-1,2-dihydronaphthaleneChEBI
Naphthalene 1,2-epoxideChEBI
Naphthalene-1,2-oxideChEBI
(1R,2S)-Naphthalene 1,2-oxideHMDB
(1R,2S)-Naphthalene epoxideHMDB
(1S,2R)-Naphthalene epoxideHMDB
Naphthalene oxideMeSH
Chemical FormulaC10H8O
Average Molecular Weight144.1699
Monoisotopic Molecular Weight144.057514878
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number73136-20-6
SMILESNot Available
InChI Identifier
InChI=1S/C10H8O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-6,9-10H
InChI KeyXQIJIALOJPIKGX-UHFFFAOYSA-N