-OEChem-02281210082D

 11 11  0     0  0  0  0  0  0999 V2000
   -1.7537    0.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7537   -1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5331    0.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0392    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0392   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
8145174

> <PUBCHEM_SUBSTANCE_VERSION>
12

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:18243

> <PUBCHEM_SUBSTANCE_SYNONYM>
3-Hydroxytyramine
4-(2-aminoethyl)benzene-1,2-diol
4-(2-aminoethyl)catechol
4-(2-aminoethyl)pyrocatechol
CHEBI:18243
Deoxyepinephrine
Hydroxytyramin
dopamina
dopamine
dopaminum

> <PUBCHEM_XREF_EXT_ID>
CHEBI:18243

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.ebi.ac.uk/chebi/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:18243

> <PUBCHEM_CID_ASSOCIATIONS>
681  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$