2796026
  CDK     0416232200

 14 15  0  0  0  0  0  0  0  0999 V2000
    5.0749   -1.8295    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3679   -1.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8061    1.4157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.5759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0353   -0.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9554   -0.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7005   -0.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7804   -0.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8200   -1.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9158   -1.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4874   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4705    0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1548   -1.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8999   -1.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0 
  1 14  1  0  0  0  0 
  2  5  1  0  0  0  0 
  2  7  1  0  0  0  0 
  3 12  1  0  0  0  0 
  4 12  2  0  0  0  0 
  5  8  2  0  0  0  0 
  5  9  1  0  0  0  0 
  6  7  2  0  0  0  0 
  6  8  1  0  0  0  0 
  6 12  1  0  0  0  0 
  7 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
 11 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
M  END
> <ID>
CHEBI:194934

> <NAME>
2-Methyl-5-(2-thienyl)-3-furoic acid

> <STAR>
2

> <IUPAC_NAME>
2-methyl-5-thiophen-2-yluran-3-carboxylic acid

> <FORMULA>
C10H8O3S

> <MASS>
208.230

> <MONOISOTOPIC_MASS>
208.01942

> <CHARGE>
0

> <SMILES>
S1C(C=2OC(=C(C2)C(O)=O)C)=CC=C1

> <INCHI>
InChI=1S/C10H8O3S/c1-6-7(10(11)12)5-8(13-6)9-3-2-4-14-9/h2-5H,1H3,(H,11,12)

> <INCHIKEY>
YXDCRSXNEOKXDE-UHFFFAOYSA-N

$$$$