774975
  -OEChem-05112420422D

 28 31  0     0  0  0  0  0  0999 V2000
    4.3009   -2.2247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9176    1.7342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.6997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3073   -2.2442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    0.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0574    2.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.1332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -1.9550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.5325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188    1.3543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -1.1332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678    0.5325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3736    2.7776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241    2.5604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7413    1.7109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2 12  1  0  0  0  0
  2 19  1  0  0  0  0
  3 11  2  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
  9 11  1  0  0  0  0
  9 16  2  0  0  0  0
 10 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 13 20  1  0  0  0  0
 14 17  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 18  1  0  0  0  0
 16 23  1  0  0  0  0
 17 18  2  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
 19 26  1  0  0  0  0
 19 27  1  0  0  0  0
 19 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
774975

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
386

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFjB9AAAHgAEAAAADAyBngIyxvAQBACpA6RyQgCCCAAkIgAomCE2bNoMJr6EtZuAMeBm4BkI6cf/yPCOgEABQAAaAACAgAaAADQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
10-methoxy-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

> <PUBCHEM_IUPAC_CAS_NAME>
10-methoxy-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
10-methoxy-15-oxa-14-azatetracyclo[7.6.1.0<SUP>2,7</SUP>.0<SUP>13,16</SUP>]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

> <PUBCHEM_IUPAC_NAME>
10-methoxy-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
10-methoxy-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
10-methoxy-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H9NO3/c1-18-11-7-6-10-12-13(11)14(17)8-4-2-3-5-9(8)15(12)19-16-10/h2-7H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
FCRLYYQMRWSKIT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
251.058243149

> <PUBCHEM_MOLECULAR_FORMULA>
C15H9NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
251.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C2C3=C(C4=CC=CC=C4C2=O)ON=C3C=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C2C3=C(C4=CC=CC=C4C2=O)ON=C3C=C1

> <PUBCHEM_CACTVS_TPSA>
52.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
251.058243149

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  4  8
1  7  8
10  13  8
12  15  8
13  15  8
14  17  8
16  18  8
17  18  8
4  10  8
5  10  8
5  6  8
5  7  8
6  12  8
8  14  8
8  9  8
9  16  8

$$$$