10444193
  -OEChem-05132414492D

 23 24  0     0  0  0  0  0  0999 V2000
    4.2690   -1.9796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.0204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0174   -2.0142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.9796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.0204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0174    2.0550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991    1.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -1.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    1.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -0.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708   -0.8125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5507   -2.3304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 19  1  0  0  0  0
  2 11  1  0  0  0  0
  2 20  1  0  0  0  0
  3 12  1  0  0  0  0
  3 21  1  0  0  0  0
  4 13  1  0  0  0  0
  4 22  1  0  0  0  0
  5 14  1  0  0  0  0
  5 23  1  0  0  0  0
  6 15  2  0  0  0  0
  7 17  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10444193

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
402

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAGgAACAAADASAmAAABoAAAgCIAqBSAAACAAAkIAAAiAEEiMgJJzaCFBKAcUEl4BUJmQfK7LTOoQABCAAYQABCAAIQADCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4,5,6,7,8-pentahydroxynaphthalene-1,2-dione

> <PUBCHEM_IUPAC_CAS_NAME>
4,5,6,7,8-pentahydroxynaphthalene-1,2-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
4,5,6,7,8-pentahydroxynaphthalene-1,2-dione

> <PUBCHEM_IUPAC_NAME>
4,5,6,7,8-pentahydroxynaphthalene-1,2-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4,5,6,7,8-pentakis(oxidanyl)naphthalene-1,2-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4,5,6,7,8-pentahydroxy-1,2-naphthoquinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H6O7/c11-2-1-3(12)6(13)5-4(2)7(14)9(16)10(17)8(5)15/h1,11,14-17H

> <PUBCHEM_IUPAC_INCHIKEY>
OSCDUVMWLUYRCU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.5

> <PUBCHEM_EXACT_MASS>
238.01135253

> <PUBCHEM_MOLECULAR_FORMULA>
C10H6O7

> <PUBCHEM_MOLECULAR_WEIGHT>
238.15

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C(C2=C(C(=C(C(=C2O)O)O)O)C(=O)C1=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C(C2=C(C(=C(C(=C2O)O)O)O)C(=O)C1=O)O

> <PUBCHEM_CACTVS_TPSA>
135

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
238.01135253

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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  13  8
11  14  8
13  14  8
8  10  8
8  9  8
9  11  8

$$$$