11187418
  -OEChem-04252405052D

 36 42  0     0  0  0  0  0  0999 V2000
    3.5202   -2.1916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1028   -2.3362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3900   -2.1916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0312    2.4800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2514   -0.7402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8790    2.4800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9551    0.2496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0312    0.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3307   -0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8790    0.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1154   -0.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8859   -1.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7948   -0.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6485    1.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2872   -1.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2617    1.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120   -0.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5014   -2.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6982   -0.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6381    1.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9487   -1.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2720    1.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5530   -2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9102    0.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9551   -2.8627    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    4.9551    2.8627    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.7218   -0.5871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1797   -3.2945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1884   -0.5871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3741    2.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5654   -1.9302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5360    2.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3972    0.9254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8698   -3.3489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5130    0.9254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 26  1  0  0  0  0
  2 12  1  0  0  0  0
  2 26  1  0  0  0  0
  3 13  1  0  0  0  0
  3 26  1  0  0  0  0
  4 14  1  0  0  0  0
  4 27  1  0  0  0  0
  5 15  1  0  0  0  0
  5 27  1  0  0  0  0
  6 16  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
  9 15  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 17 23  2  0  0  0  0
 17 28  1  0  0  0  0
 18 24  2  0  0  0  0
 18 29  1  0  0  0  0
 19 25  2  0  0  0  0
 19 30  1  0  0  0  0
 20 23  1  0  0  0  0
 20 31  1  0  0  0  0
 21 24  1  0  0  0  0
 21 32  1  0  0  0  0
 22 25  1  0  0  0  0
 22 33  1  0  0  0  0
 23 34  1  0  0  0  0
 24 35  1  0  0  0  0
 25 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11187418

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
492

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccN6OAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAWLAABUAAIHgAAAAAACAyBkAAwxoMAAACAACRCQACCAAAhIAAIiAAHTIgKJ2LAkZOEMAhlwBXYyAeQYAQAAAAACAAAEAAAAAAQAAAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
8,10,16,18,26,27-hexaoxa-1-aza-9,17-diboraheptacyclo[13.9.1.13,17.19,23.02,7.011,25.019,24]heptacosa-2,4,6,11,13,15(25),19(24),20,22-nonaene

> <PUBCHEM_IUPAC_CAS_NAME>
8,10,16,18,26,27-hexaoxa-1-aza-9,17-diboraheptacyclo[13.9.1.13,17.19,23.02,7.011,25.019,24]heptacosa-2,4,6,11,13,15(25),19(24),20,22-nonaene

> <PUBCHEM_IUPAC_NAME_MARKUP>
8,10,16,18,26,27-hexaoxa-1-aza-9,17-diboraheptacyclo[13.9.1.1<SUP>3,17</SUP>.1<SUP>9,23</SUP>.0<SUP>2,7</SUP>.0<SUP>11,25</SUP>.0<SUP>19,24</SUP>]heptacosa-2,4,6,11,13,15(25),19(24),20,22-nonaene

> <PUBCHEM_IUPAC_NAME>
8,10,16,18,26,27-hexaoxa-1-aza-9,17-diboraheptacyclo[13.9.1.13,17.19,23.02,7.011,25.019,24]heptacosa-2,4,6,11,13,15(25),19(24),20,22-nonaene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
8,10,16,18,26,27-hexaoxa-1-aza-9,17-diboraheptacyclo[13.9.1.13,17.19,23.02,7.011,25.019,24]heptacosa-2,4,6,11,13,15(25),19(24),20,22-nonaene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
8,10,16,18,26,27-hexaoxa-1-aza-9,17-diboraheptacyclo[13.9.1.13,17.19,23.02,7.011,25.019,24]heptacosa-2,4,6,11,13,15(25),19(24),20,22-nonaene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H9B2NO6/c1-4-10-16-11(5-1)23-20-25-13-7-2-6-12-17(13)21(16)18-14(26-19(22-10)24-12)8-3-9-15(18)27-20/h1-9H

> <PUBCHEM_IUPAC_INCHIKEY>
BVIDKBMNVCTYAW-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
357.0615973

> <PUBCHEM_MOLECULAR_FORMULA>
C18H9B2NO6

> <PUBCHEM_MOLECULAR_WEIGHT>
356.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
B12OC3=C4C(=CC=C3)OB5OC6=CC=CC(=C6N4C7=C(O1)C=CC=C7O5)O2

> <PUBCHEM_OPENEYE_ISO_SMILES>
B12OC3=C4C(=CC=C3)OB5OC6=CC=CC(=C6N4C7=C(O1)C=CC=C7O5)O2

> <PUBCHEM_CACTVS_TPSA>
58.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
357.0615973

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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  13  8
10  16  8
11  17  8
12  18  8
13  19  8
14  20  8
15  21  8
16  22  8
17  23  8
18  24  8
19  25  8
20  23  8
21  24  8
22  25  8
8  11  8
8  14  8
9  12  8
9  15  8

$$$$