5281002
  -OEChem-05221317112D

 23 24  0     1  0  0  0  0  0999 V2000
    4.6650    1.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9521   -1.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3049   -1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7528    0.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7139    0.3743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7139    1.3743    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6650    0.0653    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7056    1.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7056    0.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2528    0.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9740   -0.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2528    0.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7528    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    2.2141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2266   -0.3731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7074    1.9984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0856    1.3793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5628    1.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1702   -0.2038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8604   -0.6023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1437   -1.6833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0628   -0.5286    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 22  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 15  1  6  0  0  0
  8 11  1  0  0  0  0
  8 12  1  6  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5281002

> <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>
AAADccByOAAAAAAAAAAAAAAAAABYAWAAAAAAAAAABYAAAAAAAAAAHgAACAAACCzhgAYACAMABgCIACHSGACACAAgIAAACAGIAAgCFAwAASAPUAADZgCYEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R,3E,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
(2R,3E,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

> <PUBCHEM_IUPAC_NAME>
(2R,3E,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,3E,5R)-3-(2-oxidanylethylidene)-7-oxidanylidene-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R,3E,5R)-3-(2-hydroxyethylidene)-7-keto-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H9NO5/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>
HZZVJAQRINQKSD-INJCQMSSSA-N

> <PUBCHEM_XLOGP3>
-1.2

> <PUBCHEM_EXACT_MASS>
199.048072

> <PUBCHEM_MOLECULAR_FORMULA>
C8H9NO5

> <PUBCHEM_MOLECULAR_WEIGHT>
199.16076

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2N(C1=O)C(C(=CCO)O2)C(=O)O

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

> <PUBCHEM_CACTVS_TPSA>
87.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
199.048072

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
7  15  6
8  12  6

$$$$