Marvin  10120916432D          

 15 15  0  0  1  0            999 V2000
    0.2847    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4298   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9992   -0.4118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2847    0.8257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1442    0.0007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8587   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8587   -1.2368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5731    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2876   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0021    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7165   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7165   -1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0021   -1.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2876   -1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4310   -1.6493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
  3  1  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 14  9  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
> <ID>
CHEBI:28595

> <NAME>
4-hydroxyphenylacetylglycine

> <DEFINITION>
Phenylacetylglycine hydroxylated at the phenyl C-4 position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:1878; CHEBI:20423

> <SYNONYM>
p-Hydroxyphenylacetylglycine; 4-Hydroxyphenylacetylglycine; 4-Hydroxyphenylacetylglycine

> <IUPAC_NAME>
N-[(4-hydroxyphenyl)acetyl]glycine

> <FORMULA>
C10H11NO4

> <MASS>
209.19860

> <MONOISOTOPIC_MASS>
209.06881

> <CHARGE>
0

> <SMILES>
OC(=O)CNC(=O)Cc1ccc(O)cc1

> <INCHI>
InChI=1S/C10H11NO4/c12-8-3-1-7(2-4-8)5-9(13)11-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)

> <INCHIKEY>
CPPDWYIPKSSNNM-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C05596

$$$$