15607909
  CDK     0602212311

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.5234    0.1568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    0.1568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -1.0808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.1568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.1568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -1.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -1.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -2.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    1.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    1.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089    1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0 
  2 14  2  0  0  0  0 
  3 21  1  0  0  0  0 
  4 21  2  0  0  0  0 
  5  6  1  0  0  0  0 
  5 14  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6  8  2  0  0  0  0 
  7 10  2  0  0  0  0 
  7 21  1  0  0  0  0 
  8 11  1  0  0  0  0 
  9 13  1  0  0  0  0 
  9 15  2  0  0  0  0 
  9 16  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 12  2  0  0  0  0 
 13 17  2  0  0  0  0 
 14 17  1  0  0  0  0 
 15 18  1  0  0  0  0 
 16 19  2  0  0  0  0 
 18 20  2  0  0  0  0 
 19 20  1  0  0  0  0 
M  END
> <ID>
CHEBI:174706

> <NAME>
(E)-Avenanthramide D

> <STAR>
2

> <IUPAC_NAME>
2-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid

> <FORMULA>
C16H13NO4

> <MASS>
283.283

> <MONOISOTOPIC_MASS>
283.08446

> <CHARGE>
0

> <SMILES>
OC1=CC=C(/C=C\C(=O)NC=2C(=CC=CC2)C(O)=O)C=C1

> <INCHI>
InChI=1S/C16H13NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-10,18H,(H,17,19)(H,20,21)/b10-7-

> <INCHIKEY>
INBHLTYBRKASIZ-YFHOEESVSA-N

$$$$