57350025
  -OEChem-05072418002D

 34 30  0     0  0  0  0  0  0999 V2000
    5.1535    1.0785    0.0000 Ga  0  0  0  0  0 15  0  0  0  0  0  0
    6.5380    5.6985    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2690    2.1200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2690    6.7769    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.6720    5.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    5.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    4.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    5.8185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.8969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1159    6.2354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    6.0085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4959    5.1615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0520    4.1985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    3.5785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2920    4.1985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    2.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    1.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    7.3139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    6.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    5.2769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230    5.2769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 15  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
M  CHG  3   2  -1   3  -1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
57350025

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
10.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACBSggAICAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/3C3H7O.Ga/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;

> <PUBCHEM_IUPAC_INCHIKEY>
YTAAORKOXQMHDZ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
246.07464

> <PUBCHEM_MOLECULAR_FORMULA>
C9H21GaO3-3

> <PUBCHEM_MOLECULAR_WEIGHT>
246.98

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ga]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ga]

> <PUBCHEM_CACTVS_TPSA>
69.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
246.07464

> <PUBCHEM_TOTAL_CHARGE>
-3

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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>
4

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$