-OEChem-10311114433D

  8  8  0     0  0  0  0  0  0999 V2000
   -0.0161    1.3380    0.0094 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2345   -0.1585   -0.0384 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1889    2.0617   -0.0265 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1043    0.7879   -0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5747    0.8621   -0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2254    1.8322    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2752   -0.4267   -0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  5  2  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
8003031

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
20051730

> <PUBCHEM_SUBSTANCE_SYNONYM>
InChI=1/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7

> <PUBCHEM_XREF_EXT_ID>
20051730

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.nmrshiftdb.org

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/20051730

> <PUBCHEM_CID_ASSOCIATIONS>
10268  1

> <PUBCHEM_CONFORMER_ID>
007A1DD700020001

> <PUBCHEM_COORDINATE_TYPE>
2
3
4

$$$$