-OEChem-07191013242D

 13 14  0     0  0  0  0  0  0999 V2000
   21.7700  -16.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6700  -14.0700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.5400  -16.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4100  -15.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4100  -14.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7400  -16.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1500  -16.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5100  -15.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1500  -13.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9600  -15.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9600  -14.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2300  -17.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5600  -17.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
4041

> <PUBCHEM_SUBSTANCE_VERSION>
7

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00780

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 50-67-9
ChEBI: 28790
KNApSAcK: C00001429
PDB-CCD: SRO
3DMET: B00173
NIKKAJI: J4.107F
Is a reactant or product of enzyme EC 1.4.3.4
Is a reactant or product of enzyme EC 1.13.11.52
Is a reactant or product of enzyme EC 2.1.1.49
Is a reactant or product of enzyme EC 2.1.1.-
Is a reactant or product of enzyme EC 2.3.1.87
Is a reactant or product of enzyme EC 4.1.1.28

> <PUBCHEM_SUBSTANCE_SYNONYM>
3-(2-Aminoethyl)-1H-indol-5-ol
5-Hydroxytryptamine
50-67-9
C00780
Enteramine
Serotonin

> <PUBCHEM_GENERIC_REGISTRY_NAME>
50-67-9

> <PUBCHEM_XREF_EXT_ID>
C00780

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00780

> <PUBCHEM_CID_ASSOCIATIONS>
5202  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$