22056978
  CDK     1019211303

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.3000    0.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1894    2.1409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    2.1409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -2.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1894   -0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -1.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1894   -1.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0 
  2 10  1  0  0  0  0 
  3 10  2  0  0  0  0 
  4 13  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  5 10  1  0  0  0  0 
  6  8  2  0  0  0  0 
  6  9  1  0  0  0  0 
  8 11  1  0  0  0  0 
  9 12  2  0  0  0  0 
 11 13  2  0  0  0  0 
 12 13  1  0  0  0  0 
M  END
> <ID>
CHEBI:181726

> <NAME>
2-Hydroxy-2-(4-hydroxyphenyl)propanoic acid

> <STAR>
2

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

> <FORMULA>
C9H10O4

> <MASS>
182.175

> <MONOISOTOPIC_MASS>
182.05791

> <CHARGE>
0

> <SMILES>
OC(C1=CC=C(O)C=C1)(C)C(O)=O

> <INCHI>
InChI=1S/C9H10O4/c1-9(13,8(11)12)6-2-4-7(10)5-3-6/h2-5,10,13H,1H3,(H,11,12)

> <INCHIKEY>
HXIPUYVSSGKLFF-UHFFFAOYSA-N

$$$$