54687624
  -OEChem-04192421062D

 27 30  0     0  0  0  0  0  0999 V2000
    3.4273   -2.7739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4654    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
    4.5692   -0.3106    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
    4.0692    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
    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
    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
    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
    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
    6.7761    0.0480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9146    2.1151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2238    2.1151    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
    3.7363    3.5640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4021    3.5640    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 11  1  0  0  0  0
  1 27  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 11  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 10 19  1  0  0  0  0
 11 15  2  0  0  0  0
 12 17  1  0  0  0  0
 12 20  1  0  0  0  0
 13 18  1  0  0  0  0
 13 21  1  0  0  0  0
 14 16  1  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 18  2  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54687624

> <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>
AAADccByMAAAAAAAAAAAAAAAAAAAAWAAAAAwYIAAAAAAAFiB/AAAHgAACAAADAyBngAwwPMMEgCoAyVyVACCgCAhIiAImCAwbNgIJuLAkZGEcAhmxAHI2QeQwPAOgAACAAACAAAAAAQAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-hydroxy-1-azatetracyclo[7.6.1.0<SUP>5,16</SUP>.0<SUP>10,15</SUP>]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one

> <PUBCHEM_IUPAC_NAME>
4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-oxidanyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H9NO2/c17-13-8-14(18)16-12-7-2-1-4-9(12)10-5-3-6-11(13)15(10)16/h1-8,17H

> <PUBCHEM_IUPAC_INCHIKEY>
WAUSMTNXPUNZOO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
235.063328530

> <PUBCHEM_MOLECULAR_FORMULA>
C15H9NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
235.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C3=C4N2C(=O)C=C(C4=CC=C3)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C3=C4N2C(=O)C=C(C4=CC=C3)O

> <PUBCHEM_CACTVS_TPSA>
42.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
235.063328530

> <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  16  8
11  15  8
12  17  8
13  18  8
14  16  8
17  18  8
3  4  8
3  6  8
3  9  8
4  5  8
4  8  8
5  10  8
5  7  8
6  12  8
6  7  8
7  13  8
8  11  8
8  14  8
9  15  8

$$$$