93004
  -OEChem-09272320482D

 20 22  0     1  0  0  0  0  0999 V2000
    4.8473    2.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3439   -0.5190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2007   -2.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6104    0.4741    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9524   -0.4656    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5840    1.0924    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3251    0.1265    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9829    0.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7241   -0.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6170    0.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1675   -1.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5052    1.0851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2679   -0.9993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9533    1.5904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7866    0.5405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5768    0.4058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1778    1.1721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5291   -0.9709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3180   -0.5601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
93004

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
246

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAAAAAAAAAAAAAAAAAAAASJEgAAwAAAAAAASAAAAAAAAGgAAAAAADRSggAIACAAABAAIAACQCAAAAAAAAAAAAAEAAAAAABYAAAACAAAFIAAAAAHLyLCOgAAAAAAAAAAAAAIAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione

> <PUBCHEM_IUPAC_CAS_NAME>
4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
4,10-dioxatricyclo[5.2.1.0<SUP>2,6</SUP>]decane-3,5-dione

> <PUBCHEM_IUPAC_NAME>
4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H8O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2

> <PUBCHEM_IUPAC_INCHIKEY>
JAABVEXCGCXWRR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.1

> <PUBCHEM_EXACT_MASS>
168.04225873

> <PUBCHEM_MOLECULAR_FORMULA>
C8H8O4

> <PUBCHEM_MOLECULAR_WEIGHT>
168.15

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2C3C(C1O2)C(=O)OC3=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC2C3C(C1O2)C(=O)OC3=O

> <PUBCHEM_CACTVS_TPSA>
52.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
168.04225873

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <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>
5  11  3
6  12  3
7  9  3
8  10  3

$$$$