-OEChem-03131213512D

 25 25  0     0  0  0  0  0  0999 V2000
   -1.7862   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4590   -1.5534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6844   -1.5534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1735    0.3159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3989    0.3159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0881    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9131   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2 10  1  0  0  0  0
  2 22  1  0  0  0  0
  3  6  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  8 11  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 19  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
126522958

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
811

> <PUBCHEM_EXT_DATASOURCE_REGID>
HMDB00022

> <PUBCHEM_SUBSTANCE_COMMENT>
Disorders: Parkinson's disease
Biofluids: Blood, Cerebrospinal Fluid, Urine

> <PUBCHEM_SUBSTANCE_SYNONYM>
3-Methoxy-4-hydroxyphenylethyl amine
3-Methoxytyramine
3-O-methyldopamine
4-(2-Aminoethyl)-2-methoxyphenol
4-(2-amino-ethyl)-2-methoxy-phenol
4-(2-aminoethyl)-2-methoxy-Phenol
5-(2-aminoethyl)guaiacol
HMDB00022

> <PUBCHEM_XREF_EXT_ID>
HMDB00022

> <PUBCHEM_PUBMED_ID>
262188
872373
2927387
3434205
4073504
4281061
6749220
7004664
7251775
12105105
12138004
12649306
15120096
15542730
15556832

> <PUBCHEM_EXT_DATASOURCE_URL>
http://hmdb.ca

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://hmdb.ca/metabolites/HMDB00022

> <PUBCHEM_CID_ASSOCIATIONS>
1669  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$