14403
  -OEChem-05062404062D

 35 39  0     1  0  0  0  0  0999 V2000
    3.5229   -1.5894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3191    1.2569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0672   -1.7846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4252    2.5217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2133    2.7846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5229    0.0201    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4691   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9393   -0.7846    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3351    0.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2012   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4691   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1112    0.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0943   -0.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9393    0.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1192    1.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2012   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7087    0.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3351   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1072    1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2171    1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0672   -2.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8858    0.5228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5742   -1.2857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8389   -0.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6293   -0.4161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1294    1.4077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1663    0.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1727    1.1419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3351   -2.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4981    0.8746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4472   -2.7846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0672   -3.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6872   -2.7846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  2 21  1  0  0  0  0
  3 10  1  0  0  0  0
  3 22  1  0  0  0  0
  4 17  1  0  0  0  0
  4 23  1  0  0  0  0
  5 20  2  0  0  0  0
  6 22  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 14 18  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 21  2  0  0  0  0
 15 28  1  0  0  0  0
 16 20  1  0  0  0  0
 16 22  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 21 32  1  0  0  0  0
 23 33  1  0  0  0  0
 23 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
14403

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
650

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAASIEAAAwQAAAAAAQAEiBAAAAGgAAAAAADQSwmAMyDoAABACIAqDSCAACCAAgIAAIiAEGCMgcJzaMMRqiOiCl4BUMqQfI6PyOoAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione

> <PUBCHEM_IUPAC_CAS_NAME>
11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
11-methoxy-6,8,19-trioxapentacyclo[10.7.0.0<SUP>2,9</SUP>.0<SUP>3,7</SUP>.0<SUP>13,17</SUP>]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione

> <PUBCHEM_IUPAC_NAME>
11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
OQIQSTLJSLGHID-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
312.06338810

> <PUBCHEM_MOLECULAR_FORMULA>
C17H12O6

> <PUBCHEM_MOLECULAR_WEIGHT>
312.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1

> <PUBCHEM_CACTVS_TPSA>
71.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
312.06338810

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
9  1  3
10  11  8
11  13  8
11  17  8
12  19  8
13  16  8
16  22  8
17  19  8
3  10  8
3  22  8
7  15  3
8  10  8
8  12  8

$$$$