-OEChem-05191010092D

  8  8  0     0  0  0  0  0  0999 V2000
   21.3183  -16.8922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.0251  -14.7305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3433  -17.5753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.7262  -16.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1586  -15.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8859  -15.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9290  -17.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1361  -16.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
3678

> <PUBCHEM_SUBSTANCE_VERSION>
6

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00388

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 51-45-6
ChEBI: 18295
KNApSAcK: C00001414
PDB-CCD: HSM
3DMET: B00101
Is a reactant or product of enzyme EC 1.4.3.6
Is a reactant or product of enzyme EC 2.1.1.8
Is a reactant or product of enzyme EC 2.3.1.-
Is a reactant or product of enzyme EC 4.1.1.22
Is a reactant or product of enzyme EC 4.1.1.28
Is a reactant or product of enzyme EC 6.3.2.18

> <PUBCHEM_SUBSTANCE_SYNONYM>
1H-Imidazole-4-ethanamine
2-(4-Imidazolyl)ethylamine
51-45-6
C00388
Histamine

> <PUBCHEM_GENERIC_REGISTRY_NAME>
51-45-6

> <PUBCHEM_XREF_EXT_ID>
C00388

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00388

> <PUBCHEM_CID_ASSOCIATIONS>
774  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$