Ketcher 06022114102D 1   1.00000     0.00000     0

 14 15  0     0  0            999 V2000
    5.7322   -1.1427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8663   -1.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4644   -3.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5983   -2.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3303   -1.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3303   -2.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4644   -1.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2815   -1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8692   -2.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2815   -2.9516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5904   -0.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5983   -1.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8776    0.7764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5685   -0.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  0     0  0
  1  2  1  0     0  0
  3  4  2  0     0  0
  6  3  1  0     0  0
 12  4  1  0     0  0
  5  8  1  0     0  0
  5  6  2  0     0  0
  5  7  1  0     0  0
  6 10  1  0     0  0
  7 12  2  0     0  0
  8  9  2  0     0  0
  8 11  1  0     0  0
  9 10  1  0     0  0
 14 13  1  0     0  0
 11 14  1  0     0  0
M  END
> <ID>
CHEBI:2089

> <NAME>
5-methoxytryptamine

> <DEFINITION>
A member of the class of tryptamines that is the methyl ether derivative of serotonin.

> <STAR>
3

> <SYNONYM>
O-methylserotonin; mexamine; 5MOT; 5-MT; 5-Mot; 5-Methoxytryptamine; 5-methoxy-1H-indole-3-ethanamine; 5-MeOT; 5-MeOT; 3-(2-aminoethyl)-5-methoxyindole; 2-(5-methoxyindol-3-yl)ethylamine

> <IUPAC_NAME>
2-(5-methoxy-1H-indol-3-yl)ethanamine

> <FORMULA>
C11H14N2O

> <MASS>
190.246

> <MONOISOTOPIC_MASS>
190.11061

> <CHARGE>
0

> <SMILES>
COC1=CC2=C(NC=C2CCN)C=C1

> <INCHI>
InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3

> <INCHIKEY>
JTEJPPKMYBDEMY-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
145587

> <CAS_REGISTRY_NUMBER>
608-07-1

> <GMELIN_REGISTRY_NUMBER>
1220927

> <REAXYS_REGISTRY_NUMBER>
145587

> <CHEMIDPLUS>
608-07-1

> <KEGG_COMPOUND_ACCESSION>
C05659

> <KNAPSACK_ACCESSION>
C00051985

> <LINCS_ACCESSION>
LSM-4582

> <NIST_CHEMISTRY_WEBBOOK>
608-07-1

> <PDBECHEM_ACCESSION>
F5U

> <WIKIPEDIA_ACCESSION>
5-Methoxytryptamine

> <PUBMED_CITATION>
10420441; 11270479; 12659894; 16007002; 16714247; 17451889; 17601618; 18318189; 22678752; 23098818; 23451999; 25863630; 27112772; 3919158; 9128844

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