CDK     1018121544

 14 14  0  0  0  0  0  0  0  0999 V2000
   12.9502   -1.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3762   -2.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6652   -2.2450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9502   -0.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6652   -1.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0913   -2.2450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2393   -1.4218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2393    0.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6652    0.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9502    1.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6652    1.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2393    1.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9461    2.2866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3762   -3.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  1  1  0  0  0  0 
  5  1  1  0  0  0  0 
  6  2  2  0  0  0  0 
  7  1  2  0  0  0  0 
  8  4  1  0  0  0  0 
  9  4  2  0  0  0  0 
 10 12  1  0  0  0  0 
 11  9  1  0  0  0  0 
 12  8  2  0  0  0  0 
 13 10  1  0  0  0  0 
 14  2  1  0  0  0  0 
 10 11  2  0  0  0  0 
M  END
> <ID>
CHEBI:69737

> <NAME>
N-[2-(4-Hydroxyphenyl)-2-oxoethyl]acetamide

> <DEFINITION>
A natural product found in Cystobacter ferrugineus. 

> <STAR>
2

> <FORMULA>
C10H11NO3

> <MASS>
193.19920

> <MONOISOTOPIC_MASS>
193.07389

> <CHARGE>
0

> <SMILES>
CC(=O)NCC(=O)c1ccc(O)cc1

> <INCHI>
InChI=1S/C10H11NO3/c1-7(12)11-6-10(14)8-2-4-9(13)5-3-8/h2-5,13H,6H2,1H3,(H,11,12)

> <INCHIKEY>
HBFARTJEFUKQDS-UHFFFAOYSA-N

> <PUBMED_CITATION>
21591808

$$$$