267769
  -OEChem-04282423322D

 31 34  0     1  0  0  0  0  0999 V2000
    4.3697   -0.9054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4910   -2.2645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6931    1.6551    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.4573    0.0681    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6931    0.6776    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4573    2.2645    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8884    1.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8465    0.1888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8465    2.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4103    0.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4103    2.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9116   -0.5535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2685   -1.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6467    0.0593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3194    2.8690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    0.8670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3748    1.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4480   -0.2861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2451   -0.2861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2451    2.6188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4480    2.6188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.7852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    2.2377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    1.5474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7969    2.5318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4544    1.1663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5291   -0.6091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 16  1  0  0  0  0
  2 16  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 11  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 12  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
267769

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
426

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAAAAAAWIAAAAsQAAABAAAAFiAAAAAHgAAAAAADGzBgAQACAMABACIAiDSCACAAAAgAAAICAAIAEgKBAIAoQAHEAAGwACYoQOQwMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one

> <PUBCHEM_IUPAC_CAS_NAME>
14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
14-oxa-7-azatetracyclo[6.6.1.0<SUP>1,11</SUP>.0<SUP>2,7</SUP>]pentadeca-9,11-dien-13-one

> <PUBCHEM_IUPAC_NAME>
14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2

> <PUBCHEM_IUPAC_INCHIKEY>
SWZMSZQQJRKFBP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.1

> <PUBCHEM_EXACT_MASS>
217.110278721

> <PUBCHEM_MOLECULAR_FORMULA>
C13H15NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
217.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4

> <PUBCHEM_CACTVS_TPSA>
29.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
217.110278721

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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>
4  7  3
5  8  3
6  7  3

$$$$
