Ketcher 06292112562D 1   1.00000     0.00000     0

 13 15  0     0  0            999 V2000
    4.4155  -21.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1066  -22.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1284  -22.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4593  -21.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7682  -20.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7464  -20.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4155  -21.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7246  -22.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0628  -20.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7027  -22.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9155  -22.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0     0  0
  2  1  1  0     0  0
  6  1  2  0     0  0
  8  7  2  0     0  0
  9  7  1  0     0  0
  3  2  2  0     0  0
  5  6  1  0     0  0
 10  8  1  0     0  0
 11  9  2  0     0  0
  4  3  1  0     0  0
 12 10  2  0     0  0
 12 11  1  0     0  0
  4  5  2  0     0  0
 13  2  1  0     0  0
  9 13  1  0     0  0
M  END
> <ID>
CHEBI:28266

> <NAME>
fluorene

> <DEFINITION>
An ortho-fused tricyclic hydrocarbon that is a major component of fossil fuels and their derivatives

> <STAR>
3

> <SECONDARY_ID>
CHEBI:24058; CHEBI:5112

> <SYNONYM>
o-biphenylmethane; o-biphenylenemethane; Fluorene; Fluoren; Diphenylenemethane; 2,3-benzindene; 2,2'-Methylenebiphenyl

> <IUPAC_NAME>
fluorene; 9H-fluorene

> <FORMULA>
C13H10

> <MASS>
166.223

> <MONOISOTOPIC_MASS>
166.07825

> <CHARGE>
0

> <SMILES>
C1C2=CC=CC=C2C2=CC=CC=C12

> <INCHI>
InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2

> <INCHIKEY>
NIHNNTQXNPWCJQ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1363491

> <CAS_REGISTRY_NUMBER>
86-73-7

> <GMELIN_REGISTRY_NUMBER>
28451

> <REAXYS_REGISTRY_NUMBER>
1363491

> <CHEMIDPLUS>
86-73-7

> <KEGG_COMPOUND_ACCESSION>
C07715

> <METACYC_ACCESSION>
FLUORENE

> <NIST_CHEMISTRY_WEBBOOK>
86-73-7

> <PDBECHEM_ACCESSION>
9FL

> <WIKIPEDIA_ACCESSION>
Fluorene

> <PUBMED_CITATION>
15120562; 15800860; 16539455; 17129129; 17243671; 17285163; 17824593; 19060398; 21110374; 21478643; 23202077; 24584240; 24889657; 28409789

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