31412
  -OEChem-04242405402D

 38 43  0     0  0  0  0  0  0999 V2000
    5.5627    2.5983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8146   -0.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8307    0.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7126   -0.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9646    1.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -0.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6967    1.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6866   -2.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9646    2.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7678   -2.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8307    2.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6147   -0.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1052    0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6967    2.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8873   -1.9465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -0.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6067    0.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6168   -2.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0546    2.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7155   -3.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8467    3.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5896   -3.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0466    3.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6326   -4.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9487    4.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1528   -0.7580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5705    0.9175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5488   -0.6874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1400    0.9077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1602   -2.2727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5213    2.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1654   -3.8733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3872    3.9436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1174   -3.9814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5085    3.9547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6099   -4.7872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    4.7876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 16  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  2  0  0  0  0
  7 16  1  0  0  0  0
  7 17  2  0  0  0  0
  8 15  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  2  0  0  0  0
 10 12  1  0  0  0  0
 10 20  2  0  0  0  0
 11 16  1  0  0  0  0
 11 21  2  0  0  0  0
 12 15  1  0  0  0  0
 12 22  2  0  0  0  0
 13 18  2  0  0  0  0
 13 27  1  0  0  0  0
 14 17  1  0  0  0  0
 14 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 23  1  0  0  0  0
 19 31  1  0  0  0  0
 20 24  1  0  0  0  0
 20 32  1  0  0  0  0
 21 25  1  0  0  0  0
 21 33  1  0  0  0  0
 22 26  1  0  0  0  0
 22 34  1  0  0  0  0
 23 25  2  0  0  0  0
 23 35  1  0  0  0  0
 24 26  2  0  0  0  0
 24 36  1  0  0  0  0
 25 37  1  0  0  0  0
 26 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
31412

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
570

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAADBVAAAGgAAAAAADASAmAAwAMAAAACIAqBSAAACAAAkAAAIiAEAAMgIIDKAFRCAIQAggAAIiYcIiMCOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,9,11,13,15,17,20(24),21-undecaene-8,19-dione

> <PUBCHEM_IUPAC_CAS_NAME>
hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,9,11,13,15,17,20(24),21-undecaene-8,19-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
hexacyclo[10.10.2.0<SUP>2,7</SUP>.0<SUP>9,23</SUP>.0<SUP>13,18</SUP>.0<SUP>20,24</SUP>]tetracosa-1(23),2,4,6,9,11,13,15,17,20(24),21-undecaene-8,19-dione

> <PUBCHEM_IUPAC_NAME>
hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,9,11,13,15,17,20(24),21-undecaene-8,19-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,9,11,13,15,17,20(24),21-undecaene-8,19-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,9,11,13,15,17,20(24),21-undecaene-8,19-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H12O2/c25-23-17-7-3-1-5-13(17)15-9-11-20-22-16(10-12-19(23)21(15)22)14-6-2-4-8-18(14)24(20)26/h1-12H

> <PUBCHEM_IUPAC_INCHIKEY>
ZTWQZJLUUZHJGS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.4

> <PUBCHEM_EXACT_MASS>
332.083729621

> <PUBCHEM_MOLECULAR_FORMULA>
C24H12O2

> <PUBCHEM_MOLECULAR_WEIGHT>
332.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C(=O)C6=CC=CC=C65)C2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C(=O)C6=CC=CC=C65)C2=O

> <PUBCHEM_CACTVS_TPSA>
34.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
332.083729621

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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  12  8
10  20  8
11  21  8
12  22  8
13  18  8
14  17  8
19  23  8
20  24  8
21  25  8
22  26  8
23  25  8
24  26  8
3  4  8
3  5  8
3  7  8
4  6  8
4  8  8
5  13  8
6  14  8
7  17  8
8  18  8
9  11  8
9  19  8

$$$$