16667716
  -OEChem-04252408082D

 24 24  0     1  0  0  0  0  0999 V2000
    2.6650    3.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9522    0.5897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3049    0.0544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7528    3.4237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7139    2.0576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7139    3.0576    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7057    3.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6650    1.7486    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7057    2.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2528    2.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9740    0.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2528    2.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7528    3.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7810    6.0376    0.0000 Li  0  4  0  0  0  0  0  0  0  0  0  0
    1.5827    3.8974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2266    1.3102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7074    3.6818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0857    3.0626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5628    2.0207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8604    4.0342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1702    3.6357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1437    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0628    3.9606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  2  0  0  0  0
  3 12  1  0  0  0  0
  3 23  1  0  0  0  0
  4 12  2  0  0  0  0
  5 14  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  6  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  6  0  0  0
  9 17  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  RAD  1  15   2
M  END
> <PUBCHEM_COMPOUND_CID>
16667716

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
324

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcchyOAAAAAAAAAAAAAAAAABYAWAAAAAAAAAABYAAAAAAAAAAHgAACAAACCzhgAYACAMABgCIACHSGACACAAgIAAACAGIAAgCFAwAASAPUAADZgCYEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H9NO5.Li/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4;/h1,6-7,10H,2-3H2,(H,12,13);/b4-1-;/t6-,7-;/m1./s1

> <PUBCHEM_IUPAC_INCHIKEY>
NFFXIXWEWBDWBZ-JSYANWSFSA-N

> <PUBCHEM_EXACT_MASS>
206.06407582

> <PUBCHEM_MOLECULAR_FORMULA>
C8H9LiNO5

> <PUBCHEM_MOLECULAR_WEIGHT>
206.1

> <PUBCHEM_OPENEYE_CAN_SMILES>
[Li].C1C2N(C1=O)C(C(=CCO)O2)C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
[Li].C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O

> <PUBCHEM_CACTVS_TPSA>
87.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
206.06407582

> <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>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
7  16  6
9  12  6

$$$$