ChEBI


 23 24  0  0  0  0  0  0  0  0  1 V2000
   26.9845  -41.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2788  -40.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2788  -42.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8675  -40.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8674  -42.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1618  -41.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1618  -39.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7504  -39.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0448  -37.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6334  -37.7799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.9277  -39.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5164  -39.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8107  -40.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3994  -40.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5164  -41.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6937  -41.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8107  -42.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3994  -42.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6937  -43.8913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7504  -36.5577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9845  -43.8913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3958  -41.4467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.1015  -42.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 18 17  2  0  0  0  0
 12 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20  9  2  0  0  0  0
 21  3  1  0  0  0  0
 22  1  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
> <ID>
CHEBI:17818

> <NAME>
N-feruloyltyramine

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12500; CHEBI:7272; CHEBI:21701

> <SYNONYM>
trans-N-Feruloyltyramine; N-Feruloyltyramine; N-((E)-feruloyl)tyramine; Moupinamide

> <IUPAC_NAME>
(2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide

> <FORMULA>
C18H19NO4

> <MASS>
313.34780

> <MONOISOTOPIC_MASS>
313.13141

> <CHARGE>
0

> <SMILES>
COc1cc(\C=C\C(=O)NCCc2ccc(O)cc2)ccc1O

> <INCHI>
InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+

> <INCHIKEY>
NPNNKDMSXVRADT-WEVVVXLNSA-N

> <CAS_REGISTRY_NUMBER>
66648-43-9

> <CHEMIDPLUS>
65646-26-6

> <KEGG_COMPOUND_ACCESSION>
C02717

> <KNAPSACK_ACCESSION>
C00000660

$$$$