74318
  -OEChem-12190813172D

 24 26  0     0  0  0  0  0  0999 V2000
    4.5274    1.5068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    0.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364   -0.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183   -0.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -1.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -1.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -1.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -1.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547   -0.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -1.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -1.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0798    0.7883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    0.7431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    0.7431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5139   -2.4042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408   -2.4042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6607   -0.4862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3941   -0.4862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1459   -2.0704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088   -2.0704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0643    1.8168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 16  1  0  0  0  0
  8 12  1  0  0  0  0
  8 17  1  0  0  0  0
  9 13  1  0  0  0  0
  9 18  1  0  0  0  0
 10 14  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  2  0  0  0  0
 11 20  1  0  0  0  0
 12 14  2  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
74318

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
191

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwIAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGABQAAAGgAACAAADBSgmAIwAIAAAgCAAiBCAAACAAAgAAAIiAAACIgINiKAERCAcAAkwAEImAeAwOAOgAAAAAAQAAAAAAAAACAAAYAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
9H-fluoren-9-ol

> <PUBCHEM_IUPAC_CAS_NAME>
9H-fluoren-9-ol

> <PUBCHEM_IUPAC_NAME>
9H-fluoren-9-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
9H-fluoren-9-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
9H-fluoren-9-ol

> <PUBCHEM_NIST_INCHI>
InChI=1/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H

> <PUBCHEM_CACTVS_XLOGP>
2.7

> <PUBCHEM_EXACT_MASS>
182.073165

> <PUBCHEM_MOLECULAR_FORMULA>
C13H10O

> <PUBCHEM_MOLECULAR_WEIGHT>
182.2179

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(C3=CC=CC=C32)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(C3=CC=CC=C32)O

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
182.073165

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_SUBSTANCE_ID>
8936

> <PUBCHEM_SUBSTANCE_VERSION>
6

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C06711

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 1689-64-1
ChEBI: 16904
3DMET: B01030
Is a reactant or product of enzyme EC 1.1.1.256
Is a reactant or product of enzyme EC 1.14.12.12
Is a reactant or product of enzyme EC 1.14.-.-

> <PUBCHEM_SUBSTANCE_SYNONYM>
1689-64-1
9-Fluorenol
9-Hydroxyfluorene
C06711
Diphenylene carbinol
Fluoren-9-ol

> <PUBCHEM_GENERIC_REGISTRY_NAME>
1689-64-1

> <PUBCHEM_XREF_EXT_ID>
C06711

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C06711

> <PUBCHEM_CID_ASSOCIATIONS>
74318  1

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  13  8
12  14  8
3  5  8
3  7  8
4  6  8
4  8  8
5  9  8
6  10  8
7  11  8
8  12  8
9  13  8

$$$$