66489896
  -OEChem-04262423022D

 31 34  0     0  0  0  0  0  0999 V2000
    2.0000    0.4654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4273   -2.7739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7602    0.2772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0692    1.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0692    1.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5345    2.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6038    2.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0484    3.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0900    3.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3782    0.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5692   -0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4763   -1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8022   -0.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2345   -0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5280   -1.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3799   -1.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6853   -1.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2353   -1.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0555    2.5159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0647    1.7176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0736    1.7176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0829    2.5159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1545    3.6392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4647    3.2374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6737    3.2374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9839    3.6392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7761    0.0480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4104   -2.4129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1179   -1.4168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7774   -1.5621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8619   -3.0283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 15  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 27  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
66489896

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
417

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAAAAAAWAAAAAwYIAAAAAAAFiB8AAAHgAACAAADAyBngAwwPMMEgCoAyVyVACCgCAhICAImCAwTNgIJuLAkZGEcAhmxAHI2QeQwPAOgAACAAACAAAAAAQAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10(15)-pentaen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10(15)-pentaen-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-hydroxy-1-azatetracyclo[7.6.1.0<SUP>5,16</SUP>.0<SUP>10,15</SUP>]hexadeca-3,5(16),6,8,10(15)-pentaen-2-one

> <PUBCHEM_IUPAC_NAME>
4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10(15)-pentaen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-oxidanyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10(15)-pentaen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10(15)-pentaen-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H13NO2/c17-13-8-14(18)16-12-7-2-1-4-9(12)10-5-3-6-11(13)15(10)16/h3,5-6,8,17H,1-2,4,7H2

> <PUBCHEM_IUPAC_INCHIKEY>
DGLAPGIGFUCCKZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
239.094628657

> <PUBCHEM_MOLECULAR_FORMULA>
C15H13NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
239.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC2=C(C1)C3=CC=CC4=C3N2C(=O)C=C4O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC2=C(C1)C3=CC=CC4=C3N2C(=O)C=C4O

> <PUBCHEM_CACTVS_TPSA>
42.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
239.094628657

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
10  14  8
11  12  8
12  15  8
12  16  8
13  17  8
14  18  8
15  17  8
16  18  8
3  11  8
3  13  8
3  4  8
4  5  8
5  10  8

$$$$