-OEChem-10281115192D

 21 22  0     1  0  0  0  0  0999 V2000
    0.1121    0.8521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8266    1.2646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2555    1.2646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9700    0.8521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6845   -0.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2100    1.0191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8266   -0.3854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0705   -0.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3168    0.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6225    0.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4031    0.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6024   -0.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1121    0.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3255   -1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5410    0.0271    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.4295    0.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5410    0.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1324   -1.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6845   -0.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2555   -0.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9700    0.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 17  2  0  0  0  0
  3 17  1  0  0  0  0
  4 21  2  0  0  0  0
  5 21  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 16  1  0  0  0  0
 12 13  1  0  0  0  0
 14 18  2  0  0  0  0
 15 17  1  0  0  0  0
 15 20  1  0  0  0  0
 16 19  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
92298244

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
Golm Metabolome Database (GMD), Max Planck Institute of Molecular Plant Physiology

> <PUBCHEM_EXT_DATASOURCE_REGID>
D98CE291-68DC-4E7F-891B-9ED90D3E7D70

> <PUBCHEM_SUBSTANCE_SYNONYM>
Aspartic acid, N-(3-indolylacetyl)-
D98CE291-68DC-4E7F-891B-9ED90D3E7D70

> <PUBCHEM_XREF_EXT_ID>
D98CE291-68DC-4E7F-891B-9ED90D3E7D70

> <PUBCHEM_EXT_DATASOURCE_URL>
http://gmd.mpimp-golm.mpg.de/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://gmd.mpimp-golm.mpg.de/Metabolites/D98CE291-68DC-4E7F-891B-9ED90D3E7D70.aspx

> <PUBCHEM_CID_ASSOCIATIONS>
4656408  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$