23714647
  -OEChem-04192417042D

 23 23  0     1  0  0  0  0  0999 V2000
    4.6650    1.5671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9521   -1.2099    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3049   -1.7452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7528    1.6241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7139    0.2580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7139    1.2580    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6650   -0.0510    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7056    1.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7056    0.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2528    0.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9740   -1.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2528    0.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7528    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2612   -2.1610    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0
    3.5827    2.0979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2266   -0.4894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7074    1.8822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0856    1.2630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5628    0.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8604    2.2346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1702    1.8361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0628    2.1610    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
  4 12  2  0  0  0  0
  5 14  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  6  0  0  0
  8 11  1  0  0  0  0
  8 12  1  6  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  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  CHG  2   3  -1  15   1
M  END
> <PUBCHEM_COMPOUND_CID>
23714647

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
329

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcchyOAAAAAAAAAAAAAAAAABYAWAAAAAAAAAABYAAAAAAAAAAHgAACAAACCzhgAYACAMABgCIACHSGACACAAgIAAACAGIAAgCFAwAASAPEAADZgCYEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
lithium;(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
lithium;(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <PUBCHEM_IUPAC_NAME_MARKUP>
lithium;(2<I>R</I>,3<I>Z</I>,5<I>R</I>)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <PUBCHEM_IUPAC_NAME>
lithium;(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
lithium;(2R,3Z,5R)-3-(2-oxidanylethylidene)-7-oxidanylidene-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
lithium;(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-keto-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <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);/q;+1/p-1/b4-1-;/t6-,7-;/m1./s1

> <PUBCHEM_IUPAC_INCHIKEY>
JMRXTGCDVQLAFM-JSYANWSFSA-M

> <PUBCHEM_EXACT_MASS>
205.05625079

> <PUBCHEM_MOLECULAR_FORMULA>
C8H8LiNO5

> <PUBCHEM_MOLECULAR_WEIGHT>
205.1

> <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>
89.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
205.05625079

> <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_NONSTANDARDBOND>
3  15  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
7  16  6
8  12  6

$$$$