177751
  -OEChem-04232403522D

 30 32  0     0  0  0  0  0  0999 V2000
    7.2901   -1.3576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2785    1.7117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.3576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -0.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    0.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2901    0.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1962   -0.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6928   -1.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8070    0.0918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4052    0.7816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1938   -1.4676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8162   -0.8500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1985   -0.2276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1547   -2.0196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0008   -2.2498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2310   -1.4038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.2971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.9429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    1.3317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    0.5100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  2  0  0  0  0
  3 15  1  0  0  0  0
  3 18  1  0  0  0  0
  4 18  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  2  0  0  0  0
 12 27  1  0  0  0  0
 13 15  2  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
177751

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
424

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAA0QIAAAAAAAACRAAAAGgAAAAAADESAmAAyDoAABACIAqDSCAACCAAkIAAIiAEGCMgMJzaENRqCO2Cl4BUIqYeI7PzOIAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,2-dimethyl-3H-pyrano[3,2-g]chromene-4,8-dione

> <PUBCHEM_IUPAC_CAS_NAME>
2,2-dimethyl-3H-pyrano[3,2-g][1]benzopyran-4,8-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,2-dimethyl-3<I>H</I>-pyrano[3,2-g]chromene-4,8-dione

> <PUBCHEM_IUPAC_NAME>
2,2-dimethyl-3H-pyrano[3,2-g]chromene-4,8-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,2-dimethyl-3H-pyrano[3,2-g]chromene-4,8-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,2-dimethyl-3H-pyrano[3,2-g]chromene-4,8-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H12O4/c1-14(2)7-10(15)9-5-8-3-4-13(16)17-11(8)6-12(9)18-14/h3-6H,7H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
WEDGVCZUPFZNDE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
244.07355886

> <PUBCHEM_MOLECULAR_FORMULA>
C14H12O4

> <PUBCHEM_MOLECULAR_WEIGHT>
244.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CC(=O)C2=C(O1)C=C3C(=C2)C=CC(=O)O3)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CC(=O)C2=C(O1)C=C3C(=C2)C=CC(=O)O3)C

> <PUBCHEM_CACTVS_TPSA>
52.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
244.07355886

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
12  14  8
13  15  8
14  15  8
14  16  8
16  17  8
17  18  8
3  15  8
3  18  8
7  12  8
7  9  8
9  13  8

$$$$
