Ketcher 12041714552D 1   1.00000     0.00000     0

 13 14  0     0  0            999 V2000
   11.7998  -32.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6658  -32.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6658  -31.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7998  -30.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9337  -31.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9337  -32.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6169  -30.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6169  -32.4658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2047  -31.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9260  -29.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9040  -29.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2130  -28.7379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7998  -29.6569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  2  8  1  0     0  0
  3  2  2  0     0  0
  3  7  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  1  6  2  0     0  0
  7  9  2  0     0  0
  7 10  1  0     0  0
  8  9  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
  4 13  1  0     0  0
M  CHG  1  12   1
M  END
> <ID>
CHEBI:139069

> <NAME>
4-hydroxytryptamine(1+)

> <DEFINITION>
An organic cation resulting from the protonation of the primary amino group of 4-hydroxytryptamine. The major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
4-hydroxytryptamine

> <IUPAC_NAME>
2-(4-hydroxy-1H-indol-3-yl)ethanaminium

> <FORMULA>
C10H13N2O

> <MASS>
177.223

> <MONOISOTOPIC_MASS>
177.10224

> <CHARGE>
1

> <SMILES>
C=1C=2NC=C(C2C(=CC1)O)CC[NH3+]

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

> <INCHIKEY>
FKIRTWDHOWAQGX-UHFFFAOYSA-O

> <REAXYS_REGISTRY_NUMBER>
25990087

> <METACYC_ACCESSION>
CPD-20575

> <PUBMED_CITATION>
28763571

$$$$