5281571
  -OEChem-05052411182D

 24 25  0     0  0  0  0  0  0999 V2000
    5.2626    1.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8209    1.6604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0444    0.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0444   -1.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3802    0.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3802   -0.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2742    0.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2742   -1.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5984    0.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1803    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1803   -0.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5984   -1.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6235    0.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6235   -1.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1896   -0.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2670   -2.0926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7364   -2.1659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2369   -1.8237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5696   -0.4380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7959    1.9128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3664    2.0821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5825    0.2782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0420   -2.0821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 21  1  0  0  0  0
  2 10  1  0  0  0  0
  2 22  1  0  0  0  0
  3 11  1  0  0  0  0
  3 23  1  0  0  0  0
  4 12  1  0  0  0  0
  4 24  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  7 13  2  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
  9 17  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 13 15  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5281571

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
529

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAABAAAAAAAAAAAGgAACAAADASAgAAAAAAAAgCIAqBSAAIAAAAgIAAICABAAEgJBAAAAQAAUAAEwAAJkYIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,3,4,5-tetrahydroxybenzo[7]annulen-6-one

> <PUBCHEM_IUPAC_CAS_NAME>
2,3,4,5-tetrahydroxy-6-benzo[7]annulenone

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,3,4,5-tetrahydroxybenzo[7]annulen-6-one

> <PUBCHEM_IUPAC_NAME>
2,3,4,5-tetrahydroxybenzo[7]annulen-6-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,3,4,5-tetrakis(oxidanyl)benzo[7]annulen-6-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,3,4,5-tetrahydroxybenzocyclohepten-6-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)

> <PUBCHEM_IUPAC_INCHIKEY>
WDGFFVCWBZVLCE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.5

> <PUBCHEM_EXACT_MASS>
220.03717335

> <PUBCHEM_MOLECULAR_FORMULA>
C11H8O5

> <PUBCHEM_MOLECULAR_WEIGHT>
220.18

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=O)C(=C2C(=C1)C=C(C(=C2O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=O)C(=C2C(=C1)C=C(C(=C2O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
98

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.03717335

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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  14  8
11  12  8
13  15  8
14  16  8
15  16  8
6  10  8
6  7  8
6  8  8
7  13  8
7  9  8
8  11  8
9  12  8

$$$$