Marvin  02151114032D          

 13 13  0  0  0  0            999 V2000
    7.2242   -4.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2242   -3.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9445   -4.7053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5038   -4.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8001   -4.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5038   -5.5262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6389   -4.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6389   -5.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3593   -5.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0630   -5.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0797   -4.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3593   -4.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9185   -5.9451    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
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 13  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
M  END
> <ID>
CHEBI:17385

> <NAME>
3-(4-hydroxyphenyl)lactic acid

> <DEFINITION>
A 2-hydroxy carboxylic acid that is lactic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:1430; CHEBI:19600

> <SYNONYM>
p-Hydroxyphenyl lactic acid; DL-p-Hydroxyphenyllactic acid; beta-(p-Hydroxyphenyl)lactic acid; beta-(4-Hydroxyphenyl)lactic acid; 4-Hydroxyphenyllactic acid; 2-Hydroxy-3-(p-hydroxyphenyl)propionic acid; 2-Hydroxy-3-(4-hydroxyphenyl)propanoate

> <IUPAC_NAME>
2-hydroxy-3-(4-hydroxyphenyl)propanoic acid

> <FORMULA>
C9H10O4; C9H10O4

> <MASS>
182.17330

> <MONOISOTOPIC_MASS>
182.05791

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)

> <INCHIKEY>
JVGVDSSUAVXRDY-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2693719

> <CAS_REGISTRY_NUMBER>
306-23-0

> <REAXYS_REGISTRY_NUMBER>
2693719

> <CHEMIDPLUS>
306-23-0

> <KEGG_COMPOUND_ACCESSION>
C03672

> <METACYC_ACCESSION>
4-HYDROXYPHENYLLACTATE

> <AGRICOLA_CITATION>
IND44688039

> <PUBMED_CITATION>
20226379; 22752168; 22770225; 8582432

$$$$