-OEChem-02281210082D

 11 11  0     0  0  0  0  0  0999 V2000
   -2.1311    0.7709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1311   -1.2236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0767    0.7709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2616    0.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2616   -0.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4684    0.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3877    0.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3877   -1.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4684   -0.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3356    0.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2073    0.2711    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  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8  9  1  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>
49854381

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
LeadScope

> <PUBCHEM_EXT_DATASOURCE_REGID>
LS-159

> <PUBCHEM_SUBSTANCE_SYNONYM>
1,2-Benzenediol, 4-(2-aminoethyl)-
2-(3,4-Dihydroxyphenyl)ethylamine
3,4-Dihydroxyphenethylamine
3,4-Dihydroxyphenylethylamine
3-Hydroxytyramine
4-(2-Aminoethyl)-1,2-benzenediol
4-(2-Aminoethyl)catechol
4-(2-Aminoethyl)pyrocatechol
ASL 279
C8H11NO2
DA
Dopamin
Dopamina [INN-Spanish]
Dopamine
Dopamine [INN:BAN]
Dopaminum [INN-Latin]
EINECS 200-110-0
HSDB 3068
Hydroxytyramin
Hydroxytyramine
Intropin
KW-3-060
LS-159
NSC 173182
Oxytyramine
Pyrocatechol, 4-(2-aminoethyl)-
alpha-(3,4-Dihydroxyphenyl)-beta-aminoethane

> <PUBCHEM_XREF_EXT_ID>
LS-159

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.leadscope.com

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.leadscope.com/structure_search_results.php?ss_string=LS-159

> <PUBCHEM_CID_ASSOCIATIONS>
681  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$