ChEBI
  Marvin  04110813562D          

 11 11  0  0  0  0            999 V2000
    6.1088   -4.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1088   -5.7950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8191   -4.5224    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3754   -4.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6610   -4.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9465   -4.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -4.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9465   -6.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6610   -5.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -5.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5176   -6.1847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  4  5  1  0  0  0  0
  9  5  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  2  0  0  0  0
  7 10  1  0  0  0  0
 10  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  CHG  1   3  -1
M  END
> <ID>
CHEBI:48999

> <NAME>
4-hydroxyphenylacetate

> <DEFINITION>
A monocarboxylic acid anion that is obtained by removal of a proton from the carboxylic acid group of 4-hydroxyphenylacetic acid.

> <STAR>
3

> <SYNONYM>
4-hydroxyphenylacetate; 4-hydroxybenzeneacetate; 2-(4-hydroxyphenyl)ethanoate; (p-hydroxyphenyl)acetate

> <IUPAC_NAME>
(4-hydroxyphenyl)acetate

> <FORMULA>
C8H7O3

> <MASS>
151.13938

> <MONOISOTOPIC_MASS>
151.04007

> <CHARGE>
-1

> <SMILES>
Oc1ccc(CC([O-])=O)cc1

> <INCHI>
InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)/p-1

> <INCHIKEY>
XQXPVVBIMDBYFF-UHFFFAOYSA-M

> <REAXYS_REGISTRY_NUMBER>
3905591

> <METACYC_ACCESSION>
4-HYDROXYPHENYLACETATE

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