Marvin  06150710352D          

 10 10  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    0.8249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -0.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  7  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <ID>
CHEBI:15760

> <NAME>
tyramine

> <DEFINITION>
A primary amino compound obtained by formal decarboxylation of the amino acid tyrosine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:9799; CHEBI:15276; CHEBI:27174

> <SYNONYM>
Tyramine; Tyramin; p-tyramine; p-hydroxyphenylethylamine; p-hydroxyphenethylamine; p-(2-aminoethyl)phenol; p-(2-Aminoethyl)phenol; beta-(4-Hydroxyphenyl)ethylamine; 4-Hydroxyphenylethylamine; 4-hydroxyphenethylamine; 4-Hydroxy-beta-phenylethylamine; 2-(p-Hydroxyphenyl)ethylamine

> <IUPAC_NAME>
4-(2-aminoethyl)phenol

> <FORMULA>
C8H11NO

> <MASS>
137.17900

> <MONOISOTOPIC_MASS>
137.08406

> <CHARGE>
0

> <SMILES>
NCCc1ccc(O)cc1

> <INCHI>
InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2

> <INCHIKEY>
DZGWFCGJZKJUFP-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1099914

> <CAS_REGISTRY_NUMBER>
51-67-2

> <GMELIN_REGISTRY_NUMBER>
82946

> <REAXYS_REGISTRY_NUMBER>
1099914

> <CHEMIDPLUS>
51-67-2

> <KEGG_COMPOUND_ACCESSION>
C00483

> <KNAPSACK_ACCESSION>
C00001435

> <LINCS_ACCESSION>
LSM-19016

> <METACYC_ACCESSION>
TYRAMINE

> <NIST_CHEMISTRY_WEBBOOK>
51-67-2

> <PDBECHEM_ACCESSION>
AEF

> <WIKIPEDIA_ACCESSION>
Tyramine

> <PUBMED_CITATION>
11361052; 11919655; 12183041; 12707242; 12811595; 15000446; 15848803; 15932098; 18422653; 18970430; 19137318; 19189084; 21570963; 21628600; 21651557; 21679153; 21850574; 21909937; 22735334; 3137238; 319927; 6501508; 9282832; 9731223

$$$$