45934481
  CDK     0602212311

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.5080   -1.1880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    1.2870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -1.1880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    1.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0 
  1 10  1  0  0  0  0 
  2  6  1  0  0  0  0 
  2 16  1  0  0  0  0 
  3 10  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  7  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  8  2  0  0  0  0 
  7  9  2  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 15  2  0  0  0  0 
 14 17  2  0  0  0  0 
 15 17  1  0  0  0  0 
M  END
> <ID>
CHEBI:174183

> <NAME>
(R)-Kawain

> <STAR>
2

> <IUPAC_NAME>
4-methoxy-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one

> <FORMULA>
C14H14O3

> <MASS>
230.263

> <MONOISOTOPIC_MASS>
230.09429

> <CHARGE>
0

> <SMILES>
O1C(CC(OC)=CC1=O)/C=C\C2=CC=CC=C2

> <INCHI>
InChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7-

> <INCHIKEY>
XEAQIWGXBXCYFX-FPLPWBNLSA-N

$$$$