131751103
  CDK     0602212311

 18 18  0  0  0  0  0  0  0  0999 V2000
    6.6823   -1.0322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0587   -1.6092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1891    1.1088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7914    0.8117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3498   -0.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0148   -0.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0948    0.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2698    0.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4347   -0.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1344   -0.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2302   -0.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6062    0.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7476   -0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3908    0.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6171   -0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0040    0.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5760    0.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0 
  1  6  1  0  0  0  0 
  2 11  2  0  0  0  0 
  3 18  1  0  0  0  0 
  4 18  2  0  0  0  0 
  5  7  2  0  0  0  0 
  5 10  1  0  0  0  0 
  6  8  2  0  0  0  0 
  6 11  1  0  0  0  0 
  7  8  1  0  0  0  0 
  9 12  1  0  0  0  0 
  9 13  1  0  0  0  0 
 10 14  2  0  0  0  0 
 11 16  1  0  0  0  0 
 13 15  2  0  0  0  0 
 14 18  1  0  0  0  0 
 15 17  1  0  0  0  0 
 16 17  3  0  0  0  0 
M  END
> <ID>
CHEBI:174257

> <NAME>
(2E,11Z)-Wyerone acid

> <STAR>
2

> <IUPAC_NAME>
(Z)-3-[5-[(Z)-hept-4-en-2-ynoyl]uran-2-yl]prop-2-enoic acid

> <FORMULA>
C14H12O4

> <MASS>
244.246

> <MONOISOTOPIC_MASS>
244.07356

> <CHARGE>
0

> <SMILES>
O1C(=CC=C1C(=O)C#C/C=C\CC)/C=C\C(O)=O

> <INCHI>
InChI=1S/C14H12O4/c1-2-3-4-5-6-12(15)13-9-7-11(18-13)8-10-14(16)17/h3-4,7-10H,2H2,1H3,(H,16,17)/b4-3-,10-8-

> <INCHIKEY>
ZLZFXXJOALTVDA-YHOGECKDSA-N

$$$$