Mrv0541 07081410012D          

 14 15  0  0  0  0            999 V2000
   -0.2680   -1.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4465   -1.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1610   -1.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1610   -0.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4465   -0.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2680   -0.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8754   -0.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5899   -0.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5899   -1.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8754   -1.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4465   -2.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8754    0.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1610    1.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5899    1.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  1  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  3 10  1  0  0  0  0
  2 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
> <ID>
CHEBI:79082

> <NAME>
5-methyl-1-naphthoic acid

> <DEFINITION>
A member of the class of naphthoic acids that is 1-naphthoic acid substituted at position 5 by a methyl group.

> <STAR>
3

> <SYNONYM>
5-methylnaphthalene-1-carboxylic acid

> <IUPAC_NAME>
5-methyl-1-naphthoic acid

> <FORMULA>
C12H10O2

> <MASS>
186.20660

> <MONOISOTOPIC_MASS>
186.06808

> <CHARGE>
0

> <SMILES>
Cc1cccc2c(cccc12)C(O)=O

> <INCHI>
InChI=1S/C12H10O2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3,(H,13,14)

> <INCHIKEY>
VLEZTIKHFUAVRK-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
2362059

> <METACYC_ACCESSION>
CPD-16514

> <PUBMED_CITATION>
15147895; 18387946; 20485749; 20735485

$$$$