-OEChem-10201113242D

 40 41  0     0  0  0  0  0  0999 V2000
    7.5019   -0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5019    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7875   -0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875    1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7875   -0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2164    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2164   -0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0730    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5019    1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5019   -1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2164    1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2164   -0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9186   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0853   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0853    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9186    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585   -0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730    1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2041   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6441    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296   -0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6441    1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 21  1  0  0  0  0
  6 12  1  0  0  0  0
  6 22  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 19  2  0  0  0  0
 10 20  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 27  1  0  0  0  0
 24 26  2  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  2  0  0  0  0
 33 39  1  0  0  0  0
 34 36  2  0  0  0  0
 34 40  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
92297946

> <PUBCHEM_SUBSTANCE_VERSION>
2

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

> <PUBCHEM_EXT_DATASOURCE_REGID>
89648336-F9B2-44A0-9BF8-62E73369CB9B

> <PUBCHEM_SUBSTANCE_SYNONYM>
89648336-F9B2-44A0-9BF8-62E73369CB9B
beta-Carotin

> <PUBCHEM_XREF_EXT_ID>
89648336-F9B2-44A0-9BF8-62E73369CB9B

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://gmd.mpimp-golm.mpg.de/Metabolites/89648336-F9B2-44A0-9BF8-62E73369CB9B.aspx

> <PUBCHEM_CID_ASSOCIATIONS>
5280489  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$