66748202
  -OEChem-05142400522D

 30 31  0     0  0  0  0  0  0999 V2000
    3.3488    0.0000    0.0000 Co  0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    6.1806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    3.1806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    3.1806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    4.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    4.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    3.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    5.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    5.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    3.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    5.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    3.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998    4.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    6.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    4.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    3.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6659    5.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998    6.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6659    6.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    2.5606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    5.8353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    2.5260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998    4.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3969    6.4906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2028    4.8706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998    7.3006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6648    6.4906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2028    6.4906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  2 29  1  0  0  0  0
  3 10  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 21  1  0  0  0  0
 12 16  1  0  0  0  0
 12 22  1  0  0  0  0
 13 17  1  0  0  0  0
 13 23  1  0  0  0  0
 14 18  2  0  0  0  0
 14 24  1  0  0  0  0
 15 16  2  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  2  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
66748202

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
369

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAQAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAQCAAADAyBmAAwwILAAgCIAiVSUACCAAAhIgAIiAEAbMgIJjLAlZGEcAhm1AHI2QeYyKCOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cobalt;4-hydroxy-3-phenyl-1H-quinolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
cobalt;4-hydroxy-3-phenyl-1H-quinolin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
cobalt;4-hydroxy-3-phenyl-1<I>H</I>-quinolin-2-one

> <PUBCHEM_IUPAC_NAME>
cobalt;4-hydroxy-3-phenyl-1H-quinolin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cobalt;4-oxidanyl-3-phenyl-1H-quinolin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cobalt;4-hydroxy-3-phenyl-carbostyril

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H11NO2.Co/c17-14-11-8-4-5-9-12(11)16-15(18)13(14)10-6-2-1-3-7-10;/h1-9H,(H2,16,17,18);

> <PUBCHEM_IUPAC_INCHIKEY>
JYESTNZJOQJLCR-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
296.012172

> <PUBCHEM_MOLECULAR_FORMULA>
C15H11CoNO2

> <PUBCHEM_MOLECULAR_WEIGHT>
296.19

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3NC2=O)O.[Co]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3NC2=O)O.[Co]

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
296.012172

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  15  8
12  16  8
13  17  8
14  18  8
15  16  8
17  19  8
18  19  8
4  10  8
4  7  8
5  11  8
5  7  8
5  8  8
6  10  8
6  8  8
7  12  8
9  13  8
9  14  8

$$$$