-OEChem-11021115572D

 21 20  0     1  0  0  0  0  0999 V2000
   -4.2868    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -1.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.2062    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.0013   -0.2062    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.5724   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  6  0  0  0
  2  7  1  0  0  0  0
  5  3  1  1  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  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>
92298284

> <PUBCHEM_SUBSTANCE_VERSION>
2

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

> <PUBCHEM_EXT_DATASOURCE_REGID>
E66DE871-3B37-406A-891B-A804BDC7ABF9

> <PUBCHEM_SUBSTANCE_SYNONYM>
E66DE871-3B37-406A-891B-A804BDC7ABF9
Sphingosine

> <PUBCHEM_XREF_EXT_ID>
E66DE871-3B37-406A-891B-A804BDC7ABF9

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://gmd.mpimp-golm.mpg.de/Metabolites/E66DE871-3B37-406A-891B-A804BDC7ABF9.aspx

> <PUBCHEM_CID_ASSOCIATIONS>
5280335  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
4  1  6
5  3  5

$$$$