CDK     1030232203

 13 13  0  0  0  0  0  0  0  0999 V2000
    5.2121    0.7301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0406   -0.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5926   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3732   -1.2330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1801   -1.4045    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5157   -2.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   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
  1  2  2  0  0  0  0 
  3  2  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  3  6  1  6  0  0  0 
  7  4  1  0  0  0  0 
  6  8  2  0  0  0  0 
  7  9  1  1  0  0  0 
  8 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
  5  7  1  0  0  0  0 
M  END
> <ID>
CHEBI:226285

> <NAME>
Trienylfuranone B

> <STAR>
2

> <IUPAC_NAME>
(2R,5R)-2-[(1E,3E)-hexa-1,3,5-trienyl]-5-methyloxolan-3-one

> <FORMULA>
C11H14O2

> <MASS>
178.231

> <MONOISOTOPIC_MASS>
178.09938

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C11H14O2/c1-3-4-5-6-7-11-10(12)8-9(2)13-11/h3-7,9,11H,1,8H2,2H3/b5-4+,7-6+/t9-,11-/m1/s1

> <INCHIKEY>
MBCSRDMQLSGMFC-ZBEDPUKBSA-N

$$$$