null
  CDK     0224162329
null
 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.5955   -2.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5955   -3.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0720   -3.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0080   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2629   -3.5254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4929   -4.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379   -5.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9054   -6.2470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5728   -5.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3179   -4.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8028   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6233   -4.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1082   -3.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9287   -3.8150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7726   -2.9751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9054   -7.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1909   -7.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1909   -8.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9054   -8.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6198   -8.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6198   -7.4845    0.0000 C   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 
  6  2  1  0  0  0  0 
  5  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11  7  1  0  0  0  0 
 12 11  1  4  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 14 16  1  0  0  0  0 
  9 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 17  1  0  0  0  0 
M  END
> <ID>
CHEBI:105691

> <NAME>
3-[3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid

> <STAR>
2

> <FORMULA>
C17H14N2O3

> <MASS>
294.305

> <MONOISOTOPIC_MASS>
294.10044

> <CHARGE>
0

> <SMILES>
CC1=CC=C(O1)C2=NN(C=C2C=CC(=O)O)C3=CC=CC=C3

> <INCHI>
InChI=1S/C17H14N2O3/c1-12-7-9-15(22-12)17-13(8-10-16(20)21)11-19(18-17)14-5-3-2-4-6-14/h2-11H,1H3,(H,20,21)

> <INCHIKEY>
AIFVXBUWNSFCAJ-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-17053

$$$$