ChEBI
  Marvin  08110815272D          

 12 12  0  0  1  0            999 V2000
   11.6390   -5.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6390   -5.1165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9245   -6.3540    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.3535   -6.3540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9245   -7.1791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2101   -5.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4956   -6.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2100   -5.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7811   -5.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4955   -4.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7811   -5.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0666   -4.7040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  4  1  1  0  0  0  0
  3  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 11 10  2  0  0  0  0
  3  6  1  0  0  0  0
 12 11  1  0  0  0  0
M  END
> <ID>
CHEBI:50418

> <NAME>
4-hydroxyphenylglycine

> <DEFINITION>
A glycine molecule carrying a 4-hydroxyphenyl substituent.

> <STAR>
3

> <SYNONYM>
PHPG; para-hydroxyphenylglycine; p-hydroxyphenylglycine; amino(4-hydroxyphenyl)ethanoic acid

> <IUPAC_NAME>
amino(4-hydroxyphenyl)acetic acid

> <FORMULA>
C8H9NO3

> <MASS>
167.16200

> <MONOISOTOPIC_MASS>
167.05824

> <CHARGE>
0

> <SMILES>
NC(C(O)=O)c1ccc(O)cc1

> <INCHI>
InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)

> <INCHIKEY>
LJCWONGJFPCTTL-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
513130

$$$$