60210737
  -OEChem-05052419252D

 18 15  0     1  0  0  0  0  0999 V2000
    2.4520    0.0000    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
    2.4520    2.5000    0.0000 Mg  0  0  0  0  0 15  0  0  0  0  0  0
    4.8671    6.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    7.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2690    6.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    7.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    7.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  0  0  0  0
  4 11  1  0  0  0  0
  4 18  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  8  7  1  1  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  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 13  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60210737

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
133

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBiOAAAACACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQACABAAgAIAACQCAAAAAAAAAAAAIGAAAACABgAAAAAQAAGEAAAAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H7NO4.Mg.Zn/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;/t2-;;/m0../s1

> <PUBCHEM_IUPAC_INCHIKEY>
KWUSRTOIMUVQML-JIZZDEOASA-N

> <PUBCHEM_EXACT_MASS>
220.951691

> <PUBCHEM_MOLECULAR_FORMULA>
C4H7MgNO4Zn

> <PUBCHEM_MOLECULAR_WEIGHT>
222.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C(C(=O)O)N)C(=O)O.[Mg].[Zn]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@@H](C(=O)O)N)C(=O)O.[Mg].[Zn]

> <PUBCHEM_CACTVS_TPSA>
101

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.951691

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
8  7  5

$$$$