70684777
  -OEChem-04252421142D

 27 25  0     1  0  0  0  0  0999 V2000
    6.3866    6.1368    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.7527    5.7708    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    6.0206    3.0980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4383    2.3935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7605    4.3581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5206    5.6368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2518    0.5664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2807    4.3581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2527    6.6368    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8866    5.2708    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.8866    7.0028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.2514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0206    3.0980    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4328    2.2890    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7116    4.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8396    1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5206    4.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3296    4.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4065    2.3406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1806    2.8554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2702    0.9294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3536    1.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    1.8919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6316    4.9645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5040    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    3.5614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  2  0  0  0  0
  3 13  1  0  0  0  0
  3 18  1  0  0  0  0
 14  4  1  6  0  0  0
  4 23  1  0  0  0  0
  5 15  1  0  0  0  0
  5 24  1  0  0  0  0
  6 17  1  0  0  0  0
  7 16  1  0  0  0  0
  7 25  1  0  0  0  0
  8 18  2  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 19  1  1  0  0  0
 14 16  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  2  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
M  CHG  3   2   2   9  -1  10  -1
M  END
> <PUBCHEM_COMPOUND_CID>
70684777

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
357

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgPAIAACAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAGgAACCAACBSggAIACAAABxCIQADQCIIAAAAgIAAACABAAEgBFAAAIAACUAAFwAALIQJAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
magnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate;hydrate

> <PUBCHEM_IUPAC_CAS_NAME>
magnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate;hydrate

> <PUBCHEM_IUPAC_NAME_MARKUP>
magnesium;[(2<I>R</I>)-2-[(1<I>S</I>)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2<I>H</I>-furan-4-yl] phosphate;hydrate

> <PUBCHEM_IUPAC_NAME>
magnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate;hydrate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
magnesium;[(2R)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-3-oxidanyl-5-oxidanylidene-2H-furan-4-yl] phosphate;hydrate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
magnesium;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-keto-2H-furan-4-yl] phosphate;hydrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H9O9P.Mg.H2O/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;/h2,4,7-9H,1H2,(H2,11,12,13);;1H2/q;+2;/p-2/t2-,4+;;/m0../s1

> <PUBCHEM_IUPAC_INCHIKEY>
FDQIBYYUEFUCSN-YCWPWOODSA-L

> <PUBCHEM_EXACT_MASS>
295.9783752

> <PUBCHEM_MOLECULAR_FORMULA>
C6H9MgO10P

> <PUBCHEM_MOLECULAR_WEIGHT>
296.41

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C(C1C(=C(C(=O)O1)OP(=O)([O-])[O-])O)O)O.O.[Mg+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@@H]([C@@H]1C(=C(C(=O)O1)OP(=O)([O-])[O-])O)O)O.O.[Mg+2]

> <PUBCHEM_CACTVS_TPSA>
160

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
295.9783752

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  19  5
14  4  6

$$$$