13520
  -OEChem-05052405102D

 21 17  0     0  0  0  0  0  0999 V2000
    5.0981   -1.1651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2990    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2990    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5981    1.4330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0981    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2010    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7990    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0
    3.0981    2.2990    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.2164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.9067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6807    0.7790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9904    1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7881   -1.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 21  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 13  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  CHG  6   2  -1   4  -1   5  -1  14   1  15   1  16   1
M  END
> <PUBCHEM_COMPOUND_CID>
13520

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
211

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYxgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADESAgAAACAAAAgAIAACQCAIAAAAAAAAAAAFAAAABABYAAAAAQAAFIAABAADLJgAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
trilithium;citrate

> <PUBCHEM_IUPAC_CAS_NAME>
trilithium;2-hydroxypropane-1,2,3-tricarboxylate

> <PUBCHEM_IUPAC_NAME_MARKUP>
trilithium;2-hydroxypropane-1,2,3-tricarboxylate

> <PUBCHEM_IUPAC_NAME>
trilithium;2-hydroxypropane-1,2,3-tricarboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
trilithium;2-oxidanylpropane-1,2,3-tricarboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
trilithium;citrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H8O7.3Li/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3

> <PUBCHEM_IUPAC_INCHIKEY>
WJSIUCDMWSDDCE-UHFFFAOYSA-K

> <PUBCHEM_EXACT_MASS>
210.0515378

> <PUBCHEM_MOLECULAR_FORMULA>
C6H5Li3O7

> <PUBCHEM_MOLECULAR_WEIGHT>
210.0

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

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

> <PUBCHEM_CACTVS_TPSA>
141

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
210.0515378

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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

$$$$