Marvin  09160622362D          

 10 11  0  0  0  0            999 V2000
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  6  5  2  0  0  0  0
  8  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 10  9  2  0  0  0  0
M  END
> <ID>
CHEBI:16482

> <NAME>
naphthalene

> <DEFINITION>
An aromatic hydrocarbon comprising two fused benzene rings. It occurs in the essential oils of numerous plant species e.g. magnolia.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44619; CHEBI:7472; CHEBI:14638; CHEBI:25469

> <SYNONYM>
Naphthalin; naphthalene; NAPHTHALENE; Naphthalene; Naphthalen; naphtaline; naphtalene; naftalina; naftaleno

> <IUPAC_NAME>
naphthalene

> <FORMULA>
C10H8

> <MASS>
128.17052

> <MONOISOTOPIC_MASS>
128.06260

> <CHARGE>
0

> <SMILES>
c1ccc2ccccc2c1

> <INCHI>
InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H

> <INCHIKEY>
UFWIBTONFRDIAS-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1421310

> <CAS_REGISTRY_NUMBER>
91-20-3

> <GMELIN_REGISTRY_NUMBER>
3347

> <REAXYS_REGISTRY_NUMBER>
1421310

> <CHEMIDPLUS>
91-20-3

> <KEGG_COMPOUND_ACCESSION>
C00829

> <KNAPSACK_ACCESSION>
C00001259

> <METACYC_ACCESSION>
NAPHTHALENE

> <NIST_CHEMISTRY_WEBBOOK>
91-20-3

> <PDBECHEM_ACCESSION>
NPY

> <WIKIPEDIA_ACCESSION>
Naphthalene

> <PUBMED_CITATION>
10814889; 11202734; 16220979; 16699520; 17850896; 26875834; 26895256; 27439360

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