Marvin  11300709402D          

 11 11  0  0  0  0            999 V2000
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  0  0  0  0
  2  1  2  0  0  0  0
 10  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  1  6  1  0  0  0  0
  6  5  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  5  1  0  0  0  0
  9  3  2  0  0  0  0
M  END
> <ID>
CHEBI:17445

> <NAME>
3-hydroxyphenylacetic acid

> <DEFINITION>
A monocarboxylic acid that is phenylacetic acid in which the hydrogen at position 3 on the benzene ring is replaced by a hydroxy group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:39897; CHEBI:11833; CHEBI:1550; CHEBI:20076

> <SYNONYM>
m-hydroxyphenylacetic acid; 3-Hydroxyphenylacetic acid; 3-hydroxyphenylacetic acid; 3-hydroxybenzeneacetic acid; (m-hydroxyphenyl)acetic acid

> <IUPAC_NAME>
(3-hydroxyphenyl)acetic acid

> <FORMULA>
C8H8O3

> <MASS>
152.14732

> <MONOISOTOPIC_MASS>
152.04734

> <CHARGE>
0

> <SMILES>
OC(=O)Cc1cccc(O)c1

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

> <INCHIKEY>
FVMDYYGIDFPZAX-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2086506

> <CAS_REGISTRY_NUMBER>
621-37-4

> <REAXYS_REGISTRY_NUMBER>
2086506

> <CHEMIDPLUS>
621-37-4

> <KEGG_COMPOUND_ACCESSION>
C05593

> <METACYC_ACCESSION>
3-HYDROXYPHENYLACETATE

> <PDBECHEM_ACCESSION>
3HP

> <PUBMED_CITATION>
19083460; 20579527; 22919580; 23319439; 24287915; 5350345; 7264927

$$$$