10144
  -OEChem-04252412232D

 30 34  0     0  0  0  0  0  0999 V2000
    6.4642    0.7936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4642    2.4031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    1.1197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6520    0.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7860    1.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6681   -0.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5180    1.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7860    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8760    0.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7700   -0.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5180    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6520    2.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -0.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200   -0.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9278    2.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0479    1.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7617   -2.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0623    2.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6367   -2.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7013   -2.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6520    3.2184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1508   -0.6435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9324    3.2153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5087    1.1836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5087    2.0131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2235   -2.3638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5316    2.4316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1772   -2.3524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7037   -3.2184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 17  1  0  0  0  0
  2 12  1  0  0  0  0
  2 17  1  0  0  0  0
  3 14  2  0  0  0  0
  4 10  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 16  1  0  0  0  0
 10 14  1  0  0  0  0
 11 14  1  0  0  0  0
 11 18  2  0  0  0  0
 12 13  1  0  0  0  0
 13 22  1  0  0  0  0
 15 20  1  0  0  0  0
 15 23  1  0  0  0  0
 16 19  2  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 21  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
 20 21  2  0  0  0  0
 20 29  1  0  0  0  0
 21 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10144

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
453

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6MAAAAAAAAAAAAAAAAAAAASAAAAA8YMEAAAAAAEjx9AAAHgAAAAAADAzBngc8jtIIFACoA7R3RACCiCA3IiAI2CG+7NgdJnLEtbukMSpkwBHO6Ye43PPOoAADAAAYQADQAAaAADSAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one

> <PUBCHEM_IUPAC_CAS_NAME>
3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]eicosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,5-dioxa-11-azapentacyclo[10.7.1.0<SUP>2,6</SUP>.0<SUP>8,20</SUP>.0<SUP>14,19</SUP>]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one

> <PUBCHEM_IUPAC_NAME>
3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]eicosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H9NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-7H,8H2

> <PUBCHEM_IUPAC_INCHIKEY>
MUMCCPUVOAUBAN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
275.058243149

> <PUBCHEM_MOLECULAR_FORMULA>
C17H9NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
275.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53

> <PUBCHEM_CACTVS_TPSA>
48.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
275.058243149

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
11  18  8
12  13  8
15  20  8
16  19  8
18  21  8
20  21  8
4  10  8
4  19  8
5  6  8
5  8  8
6  10  8
6  9  8
7  11  8
7  15  8
8  12  8
9  13  8
9  16  8

$$$$