Marvin  09091314122D          

 16 17  0  0  0  0            999 V2000
   11.6223   -4.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9078   -3.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1934   -4.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9078   -2.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4789   -3.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1934   -2.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4789   -2.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3368   -3.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3368   -2.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0512   -4.0989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0348   -4.8133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2097   -4.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5453   -5.5669    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.3893   -4.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9322   -6.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2177   -5.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  7  6  2  0  0  0  0
  1  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
  1  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 16 15  2  0  0  0  0
M  END
> <ID>
CHEBI:64444

> <NAME>
hydroxy(phenyl)2-thienylacetic acid

> <DEFINITION>
A 2-hydroxy monocarboxylic acid that is phenylacetic acid bearing hydroxy and 2-thenyl substituents at position 2.

> <STAR>
3

> <SYNONYM>
phenyl(2-thienyl)glycolic acid; 2-hydroxy-2-phenyl-2-(2-thienyl)acetic acid; 2-hydroxy-2-(2-thenyl)phenylacetic acid

> <IUPAC_NAME>
hydroxy(phenyl)2-thienylacetic acid

> <FORMULA>
C12H10O3S

> <MASS>
234.27100

> <MONOISOTOPIC_MASS>
234.03507

> <CHARGE>
0

> <SMILES>
OC(=O)C(O)(c1ccccc1)c1cccs1

> <INCHI>
InChI=1S/C12H10O3S/c13-11(14)12(15,10-7-4-8-16-10)9-5-2-1-3-6-9/h1-8,15H,(H,13,14)

> <INCHIKEY>
BIHFCPRVAAVAPP-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
188636

> <PUBMED_CITATION>
11712905

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