71587863
  -OEChem-05082404142D

 29 24  0     1  0  0  0  0  0999 V2000
    4.0010    1.0000    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    0.5369    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2690    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7331    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    7.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5991    1.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4030    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2191    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9791    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    7.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    7.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  2  1  1  0  0  0
  2 24  1  0  0  0  0
 11  3  1  6  0  0  0
  3 25  1  0  0  0  0
  4 14  1  0  0  0  0
  5 14  2  0  0  0  0
  6 15  1  0  0  0  0
  7 15  2  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  CHG  3   1   2   4  -1   6  -1
M  END
> <PUBCHEM_COMPOUND_CID>
71587863

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
53.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgPAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAAAgAIAACQCAIAAAAAAAAAAAFAAAABEAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
magnesium;(2S)-2-hydroxypropanoate;dihydrate

> <PUBCHEM_IUPAC_CAS_NAME>
magnesium;(2S)-2-hydroxypropanoate;dihydrate

> <PUBCHEM_IUPAC_NAME_MARKUP>
magnesium;(2<I>S</I>)-2-hydroxypropanoate;dihydrate

> <PUBCHEM_IUPAC_NAME>
magnesium;(2S)-2-hydroxypropanoate;dihydrate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
magnesium;(2S)-2-oxidanylpropanoate;dihydrate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
magnesium;(2S)-2-hydroxypropionate;dihydrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C3H6O3.Mg.2H2O/c2*1-2(4)3(5)6;;;/h2*2,4H,1H3,(H,5,6);;2*1H2/q;;+2;;/p-2/t2*2-;;;/m00.../s1

> <PUBCHEM_IUPAC_INCHIKEY>
KSHMINBVGAHXNS-PXYKVGKMSA-L

> <PUBCHEM_EXACT_MASS>
238.0539091

> <PUBCHEM_MOLECULAR_FORMULA>
C6H14MgO8

> <PUBCHEM_MOLECULAR_WEIGHT>
238.48

> <PUBCHEM_REFERENCE_STANDARDIZATION>
Bypass - this structure was created from CID 71587863

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C(=O)[O-])O.CC(C(=O)[O-])O.O.O.[Mg+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H](C(=O)[O-])O.C[C@@H](C(=O)[O-])O.O.O.[Mg+2]

> <PUBCHEM_CACTVS_TPSA>
123

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
238.0539091

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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>
5

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  2  5
11  3  6

$$$$