-OEChem-05191010082D

 17 17  0     0  0  0  0  0  0999 V2000
    2.8090   -0.4594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633    0.1795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    0.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    0.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780   -0.7281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0577   -0.5624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6033    1.0359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8237    0.8702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    1.5810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -0.0632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7240    0.5943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3922   -0.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
92297625

> <PUBCHEM_SUBSTANCE_VERSION>
2

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

> <PUBCHEM_EXT_DATASOURCE_REGID>
F411C768-A159-4FC0-A195-291A08BB03AA

> <PUBCHEM_SUBSTANCE_SYNONYM>
F411C768-A159-4FC0-A195-291A08BB03AA
Histamine base

> <PUBCHEM_XREF_EXT_ID>
F411C768-A159-4FC0-A195-291A08BB03AA

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://gmd.mpimp-golm.mpg.de/Metabolites/F411C768-A159-4FC0-A195-291A08BB03AA.aspx

> <PUBCHEM_CID_ASSOCIATIONS>
774  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$