Ketcher 12141614132D 1   1.00000     0.00000     0

 13 14  0     0  0            999 V2000
    5.2751   -5.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4091   -4.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1412   -3.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1412   -4.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2751   -3.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4091   -3.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0923   -3.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0923   -4.8641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6800   -4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5432   -3.0550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4012   -2.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3795   -2.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6884   -1.1362    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  3  7  1  0     0  0
  4  1  1  0     0  0
  3  4  2  0     0  0
  4  8  1  0     0  0
  3  5  1  0     0  0
  5  6  2  0     0  0
  6  2  1  0     0  0
  6 10  1  0     0  0
  7  9  2  0     0  0
  7 11  1  0     0  0
  8  9  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
M  END
> <ID>
CHEBI:28790

> <NAME>
serotonin

> <DEFINITION>
A primary amino compound that is the 5-hydroxy derivative of tryptamine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:49894; CHEBI:1420; CHEBI:26652

> <SYNONYM>
thrombotonin; thrombocytin; serotonine; SEROTONIN; Serotonin; Enteramine; 5-Hydroxytryptamine; 5-HT; 3-(2-Aminoethyl)-1H-indol-5-ol; 3-(2-Aminoethyl)-1H-indol-5-ol

> <IUPAC_NAME>
3-(2-aminoethyl)-1H-indol-5-ol

> <FORMULA>
C10H12N2O

> <MASS>
176.215

> <MONOISOTOPIC_MASS>
176.09496

> <CHARGE>
0

> <SMILES>
C1=CC(=CC=2C(=CNC12)CCN)O

> <INCHI>
InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2

> <INCHIKEY>
QZAYGJVTTNCVMB-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
143524

> <CAS_REGISTRY_NUMBER>
50-67-9

> <GMELIN_REGISTRY_NUMBER>
1861995

> <REAXYS_REGISTRY_NUMBER>
143524

> <CHEMIDPLUS>
50-67-9

> <KEGG_COMPOUND_ACCESSION>
C00780

> <KNAPSACK_ACCESSION>
C00001429

> <LINCS_ACCESSION>
LSM-6589

> <METACYC_ACCESSION>
SEROTONIN

> <PDBECHEM_ACCESSION>
SRO

> <WIKIPEDIA_ACCESSION>
Serotonin

> <PUBMED_CITATION>
18593914; 22770225; 24136337

$$$$