Mrv0541 10281410442D          

 15 16  0  0  0  0            999 V2000
   -2.7402    0.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4546    0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4546   -0.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7402   -0.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0257   -0.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0257    0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3112    0.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3112   -0.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5968   -0.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5968    0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7402   -1.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3112    1.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1177    0.9429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0257    2.1804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5968    2.1804    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  7 10  2  0  0  0  0
  5  8  1  0  0  0  0
  7  6  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
M  CHG  1  15  -1
M  END
> <ID>
CHEBI:82757

> <NAME>
2-hydroxy-5-methyl-1-naphthoate

> <DEFINITION>
A member of the class of naphthoates that is 1-naphthoate substituted at positions 2 and 5 by hydroxy and methyl groups respectively; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
2-hydroxy-5-methyl-1-naphthoate

> <IUPAC_NAME>
2-hydroxy-5-methyl-1-naphthoate

> <FORMULA>
C12H9O3

> <MASS>
201.19860

> <MONOISOTOPIC_MASS>
201.05572

> <CHARGE>
-1

> <SMILES>
Cc1cccc2c(C([O-])=O)c(O)ccc12

> <INCHI>
InChI=1S/C12H10O3/c1-7-3-2-4-9-8(7)5-6-10(13)11(9)12(14)15/h2-6,13H,1H3,(H,14,15)/p-1

> <INCHIKEY>
KKMAZNUSFFWQQY-UHFFFAOYSA-M

> <METACYC_ACCESSION>
CPD-16911

> <PUBMED_CITATION>
20735485

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