Marvin  01060912492D          

 14 16  0  0  0  0            999 V2000
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11  7  1  0  0  0  0
 11 13  2  0  0  0  0
  7  6  1  0  0  0  0
  6 12  1  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <ID>
CHEBI:35298

> <NAME>
anthracene

> <DEFINITION>
An ortho-fused tricyclic hydrocarbon comprising three fused benzene rings.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:34538; CHEBI:40737; CHEBI:29862

> <SYNONYM>
Anthrazen; Anthracene; ANTHRACENE

> <IUPAC_NAME>
anthracene

> <FORMULA>
C14H10

> <MASS>
178.22920

> <MONOISOTOPIC_MASS>
178.07825

> <CHARGE>
0

> <SMILES>
c1ccc2cc3ccccc3cc2c1

> <INCHI>
InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H

> <INCHIKEY>
MWPLVEDNUUSJAV-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1905429

> <CAS_REGISTRY_NUMBER>
120-12-7

> <GMELIN_REGISTRY_NUMBER>
67837

> <REAXYS_REGISTRY_NUMBER>
1905429

> <CHEMIDPLUS>
120-12-7

> <DRUGBANK_ACCESSION>
DB07372

> <KEGG_COMPOUND_ACCESSION>
C14315

> <NIST_CHEMISTRY_WEBBOOK>
120-12-7

> <PDBECHEM_ACCESSION>
AN3

> <WIKIPEDIA_ACCESSION>
Anthracene

> <PUBMED_CITATION>
17257678; 18565569; 19162536; 7561049

$$$$