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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:17435 - naphthalene-1,2-diol
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ChEBI Ontology
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ChEBI Name
naphthalene-1,2-diol
ChEBI ID
CHEBI:17435
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:7473, CHEBI:49554, CHEBI:14639, CHEBI:18895
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Formula
C10H8O2
Net Charge
0
Average Mass
160.16932
Monoisotopic Mass
160.05243
InChI
InChI=1S/C10H8O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H
InChIKey
NXPPAOGUKPJVDI-UHFFFAOYSA-N
SMILES
Oc1ccc2ccccc2c1O
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
naphthalene-1,2-diol (
CHEBI:17435
)
has role
mouse metabolite (
CHEBI:75771
)
naphthalene-1,2-diol (
CHEBI:17435
)
is a
naphthalenediol (
CHEBI:38133
)
Incoming
1,2-dihydronaphthalene-1,2-diol (
CHEBI:28516
)
has functional parent
naphthalene-1,2-diol (
CHEBI:17435
)
1,2-dihydroxynaphthalene-6-sulfonate (
CHEBI:18896
)
has functional parent
naphthalene-1,2-diol (
CHEBI:17435
)
6-amino-1,2-dihydroxynaphthalene (
CHEBI:20697
)
has functional parent
naphthalene-1,2-diol (
CHEBI:17435
)
8-methylnaphthalene-1,2-diol (
CHEBI:38136
)
has functional parent
naphthalene-1,2-diol (
CHEBI:17435
)
IUPAC Name
naphthalene-1,2-diol
Synonyms
Sources
1,2-Dihydroxynaphthalene
KEGG COMPOUND
1,2-Naphthalenediol
KEGG COMPOUND
1,2-naphthohydroquinone
ChEBI
beta-Naphthohydroquinone
KEGG COMPOUND
β-naphthohydroquinone
UM-BBD
Naphthalene-1,2-diol
KEGG COMPOUND
naphthalene-1,2-diol
UniProt
Manual Xrefs
Databases
c0129
UM-BBD
C03012
KEGG COMPOUND
DB07610
DrugBank
View more database links
Registry Numbers
Types
Sources
1908498
Beilstein Registry Number
Beilstein
241000
Gmelin Registry Number
Gmelin
574-00-5
CAS Registry Number
KEGG COMPOUND
574-00-5
CAS Registry Number
NIST Chemistry WebBook
574-00-5
CAS Registry Number
ChemIDplus
Last Modified
27 January 2016