CDK     1030232202

 17 20  0  0  0  0  0  0  0  0999 V2000
   -0.8881    0.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0648    0.4094    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1934    1.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1387    1.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5588    1.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7734    1.7361    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4448    0.3837    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6815   -0.8243    0.0000 C   0  0  2  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
   -0.3552    2.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4681    2.5025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4777    1.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1423   -0.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3790   -1.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0488   -1.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1094   -0.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0 
  1  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  5  2  1  0  0  0  0 
  3  6  1  0  0  0  0 
  7  4  1  0  0  0  0 
  8  5  1  0  0  0  0 
  9  5  1  0  0  0  0 
  5 10  1  6  0  0  0 
  6 11  1  0  0  0  0 
  7 12  1  6  0  0  0 
  7 13  1  0  0  0  0 
  8 14  1  1  0  0  0 
  9 15  1  0  0  0  0 
  9 16  1  6  0  0  0 
 14 17  1  0  0  0  0 
  4  6  2  0  0  0  0 
  8 13  1  0  0  0  0 
 11 12  1  0  0  0  0 
 15 17  1  0  0  0  0 
M  END
> <ID>
CHEBI:220432

> <NAME>
Peribysin C

> <STAR>
2

> <IUPAC_NAME>
(1S,2R,3S,7R,9R)-2,3-dimethyl-10,14-dioxatetracyclo[7.5.1.02,7.012,15]pentadec-12(15)-ene

> <FORMULA>
C15H22O2

> <MASS>
234.339

> <MONOISOTOPIC_MASS>
234.16198

> <CHARGE>
0

> <SMILES>
O1[C@@H]2C=3[C@H](OCC3C1)C[C@@H]4[C@]2([C@H](CCC4)C)C

> <INCHI>
InChI=1S/C15H22O2/c1-9-4-3-5-11-6-12-13-10(7-16-12)8-17-14(13)15(9,11)2/h9,11-12,14H,3-8H2,1-2H3/t9-,11+,12+,14+,15+/m0/s1

> <INCHIKEY>
JNYRITJWRVKNCG-LTDFUNFTSA-N

$$$$