2724224
 OpenBabel05082101102D

 24 21  0  0  1  0  0  0  0  0999 V2000
    5.6720    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.8100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0739    1.3100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5380    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.0969    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.2389    5.6569    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.6720    1.8100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8059    1.3100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5380    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    3.4069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    3.6339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7759    5.9669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7020    5.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9289    6.1939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5489    5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
M  CHG  4   3  -1   4  -1   7   1   8   1
M  END
>  <PUBCHEM_COMPOUND_CID>
2724224

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
123

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

>  <PUBCHEM_CACTVS_HBOND_DONOR>
4

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAQCAAACBSggAIACAAAAgAIAACQCAIAAAAAAAAAAAFAAAABEBQAAAAAQAAFIAABAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
diammonium;2,3-dihydroxybutanedioate

>  <PUBCHEM_IUPAC_CAS_NAME>
diammonium;2,3-dihydroxybutanedioate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
diazanium;2,3-dihydroxybutanedioate

>  <PUBCHEM_IUPAC_NAME>
diazanium;2,3-dihydroxybutanedioate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
diazanium;2,3-bis(oxidanyl)butanedioate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
diammonium;tartrate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H6O6.2H3N/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);2*1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
NGPGDYLVALNKEG-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
184.069536

>  <PUBCHEM_MOLECULAR_FORMULA>
C4H12N2O6

>  <PUBCHEM_MOLECULAR_WEIGHT>
184.15

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C(C(C(=O)[O-])O)(C(=O)[O-])O.[NH4+].[NH4+]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C(C(C(=O)[O-])O)(C(=O)[O-])O.[NH4+].[NH4+]

>  <PUBCHEM_CACTVS_TPSA>
123

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
184.069536

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
12

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
3

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
9  1  3
10  2  3

$$$$
