CDK     1030232200

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.4290   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7144   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4290   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9684   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3569   -0.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3809   -1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3809   -0.1106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  4  6  1  0  0  0  0 
  7  5  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  1  6  0  0  0 
 10  7  1  0  0  0  0 
  9 11  1  0  0  0  0 
  9 12  1  6  0  0  0 
 11 13  2  0  0  0  0 
 11 14  1  0  0  0  0 
  8 10  1  0  0  0  0 
 10  9  1  6  0  0  0 
M  END
> <ID>
CHEBI:206847

> <NAME>
Eupenicisirenin B

> <STAR>
2

> <IUPAC_NAME>
(1R,6S,7R)-7-methylbicyclo[4.1.0]hept-2-ene-3,7-dicarboxylic acid

> <FORMULA>
C10H12O4

> <MASS>
196.202

> <MONOISOTOPIC_MASS>
196.07356

> <CHARGE>
0

> <SMILES>
O=C(O)C1=C[C@H]2[C@@](C(=O)O)(C)[C@H]2CC1

> <INCHI>
InChI=1S/C10H12O4/c1-10(9(13)14)6-3-2-5(8(11)12)4-7(6)10/h4,6-7H,2-3H2,1H3,(H,11,12)(H,13,14)/t6-,7+,10+/m0/s1

> <INCHIKEY>
KAEHGURFOWYTCN-NYNCVSEMSA-N

$$$$