CDK     1018121543

 21 22  0  0  0  0  0  0  0  0999 V2000
   -3.3500  -17.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500  -18.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6380  -19.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6380  -17.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9260  -17.9125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9249  -18.7375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2139  -19.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2160  -17.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6382  -19.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3528  -20.3831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9239  -20.3836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0672  -19.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5004  -17.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4967  -18.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2926  -18.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7769  -18.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2868  -17.6512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6019  -18.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5510  -19.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333  -17.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9292  -19.5583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  1  4  2  0  0  0  0 
 10 12  1  0  0  0  0 
 13 14  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  6  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 13  1  0  0  0  0 
 13  8  2  0  0  0  0 
 16 18  2  0  0  0  0 
  5  4  1  0  0  0  0 
 15 19  1  0  0  0  0 
  3  9  1  0  0  0  0 
  5 20  1  1  0  0  0 
  5  6  1  0  0  0  0 
  6 21  1  6  0  0  0 
M  END
> <ID>
CHEBI:69078

> <NAME>
hiiranlactone C

> <DEFINITION>
A natural product found in Neolitsea daibuensis. 

> <STAR>
2

> <FORMULA>
C16H18O4

> <MASS>
274.31170

> <MONOISOTOPIC_MASS>
274.12051

> <CHARGE>
0

> <SMILES>
[H][C@]1(CC2=C(C)C(=O)OC2=C[C@@]1(C)C=C)C(=C)C(=O)OC

> <INCHI>
InChI=1S/C16H18O4/c1-6-16(4)8-13-11(9(2)15(18)20-13)7-12(16)10(3)14(17)19-5/h6,8,12H,1,3,7H2,2,4-5H3/t12-,16+/m0/s1

> <INCHIKEY>
JVYKKRDPTBBMIB-BLLLJJGKSA-N

> <PUBMED_CITATION>
22148193

$$$$