16682999
  -OEChem-05112408022D

 20 20  0     0  0  0  0  0  0999 V2000
    7.5309   -0.1550    0.0000 Bi  0  4  0  0  0  0  0  0  0  0  0  0
    6.9473    0.6497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473   -0.9597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5309   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8409   -0.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8409    0.3819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 10  1  0  0  0  0
  5 19  1  0  0  0  0
  6 14  1  0  0  0  0
  6 20  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
M  RAD  1   1   2
M  END
> <PUBCHEM_COMPOUND_CID>
16682999

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
222

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgOAAAAAAAAAAAACAAAAAAASAAAAAwAAAAAAAAAEgBAAAAGgAACAAADASAmAAwDoAAAgCIAiDSCAACAAAkIAAAiAEGiMgJJzKCFRKAcQElwBUJmYfK7DTOIAABCAAAQABAAAIQAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H6O5.Bi.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;/h1-2,8-10H,(H,11,12);;1H2/q;+2;/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
XXCBNHDMGIZPQF-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
394.99684

> <PUBCHEM_MOLECULAR_FORMULA>
C7H6BiO6

> <PUBCHEM_MOLECULAR_WEIGHT>
395.10

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C(C=C2C(=C1O)O[Bi]O2)C(=O)O.O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C(C=C2C(=C1O)O[Bi]O2)C(=O)O.O

> <PUBCHEM_CACTVS_TPSA>
77

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
394.99684

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  4  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
11  12  8
12  13  8
8  10  8
8  9  8
9  11  8

$$$$