54683147
  -OEChem-05092415302D

 26 28  0     0  0  0  0  0  0999 V2000
    6.9343   -1.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0522    1.2569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3198    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    0.2395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -1.8088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -2.7846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7202    1.7605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9464    2.7846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    0.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -1.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -1.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8443    0.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8523    1.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9502    1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154   -2.4392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3776   -0.0940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7865    1.5662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -2.4288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2560    1.4484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2 11  1  0  0  0  0
  2 20  1  0  0  0  0
  3 13  1  0  0  0  0
  3 23  1  0  0  0  0
  4 16  1  0  0  0  0
  4 24  1  0  0  0  0
  5 17  1  0  0  0  0
  5 25  1  0  0  0  0
  6 15  2  0  0  0  0
  7 19  1  0  0  0  0
  7 26  1  0  0  0  0
  8 20  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 18  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 21  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54683147

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
548

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwPAAAAAAAAAAAAAAAAAAAAAAAAAAwQIAAAAAAAACBAAAAGgAACAAADASAmAAwDoAABgCIAiDSCAICCAAkIAAAiAFGiMgJJzKCNBqCcQElwBULuYfK7LzOoAABCAAYQABAAAIQADCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,8,9,10-tetrahydroxypyrano[3,2-c]isochromene-2,6-dione

> <PUBCHEM_IUPAC_CAS_NAME>
3,8,9,10-tetrahydroxypyrano[3,2-c][2]benzopyran-2,6-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,8,9,10-tetrahydroxypyrano[3,2-c]isochromene-2,6-dione

> <PUBCHEM_IUPAC_NAME>
3,8,9,10-tetrahydroxypyrano[3,2-c]isochromene-2,6-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,8,9,10-tetrakis(oxidanyl)pyrano[3,2-c]isochromene-2,6-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,8,9,10-tetrahydroxypyran[3,2-c]isochromene-2,6-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H6O8/c13-4-1-3-7(9(16)8(4)15)10-6(19-11(3)17)2-5(14)12(18)20-10/h1-2,13-16H

> <PUBCHEM_IUPAC_INCHIKEY>
VYKVZHXHVUVABA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.4

> <PUBCHEM_EXACT_MASS>
278.00626715

> <PUBCHEM_MOLECULAR_FORMULA>
C12H6O8

> <PUBCHEM_MOLECULAR_WEIGHT>
278.17

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C2C(=C(C(=C1O)O)O)C3=C(C=C(C(=O)O3)O)OC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C2C(=C(C(=C1O)O)O)C3=C(C=C(C(=O)O3)O)OC2=O

> <PUBCHEM_CACTVS_TPSA>
134

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
278.00626715

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
1  12  8
1  15  8
10  14  8
10  15  8
11  12  8
12  18  8
13  16  8
14  17  8
16  17  8
18  19  8
19  20  8
2  11  8
2  20  8
9  10  8
9  11  8
9  13  8

$$$$