519869
  CDK     0811221958

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.2365    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0 
  1 12  1  0  0  0  0 
  2  6  1  0  0  0  0 
  3  7  1  0  0  0  0 
  4 11  2  0  0  0  0 
  5  6  2  0  0  0  0 
  5  7  1  0  0  0  0 
  5 11  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  2  0  0  0  0 
  8 10  2  0  0  0  0 
  9 10  1  0  0  0  0 
M  END
> <ID>
CHEBI:192874

> <NAME>
Methyl 2,6-dihydroxybenzoate

> <STAR>
2

> <IUPAC_NAME>
methyl 2,6-dihydroxybenzoate

> <FORMULA>
C8H8O4

> <MASS>
168.148

> <MONOISOTOPIC_MASS>
168.04226

> <CHARGE>
0

> <SMILES>
O(C(=O)C1=C(O)C=CC=C1O)C

> <INCHI>
InChI=1S/C8H8O4/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4,9-10H,1H3

> <INCHIKEY>
WCQZCKUNZVMBDC-UHFFFAOYSA-N

$$$$