CDK     1030232200

 14 14  0  0  0  0  0  0  0  0999 V2000
    6.4132   -0.6038    0.0000 O   0  0  0  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
    5.0406   -0.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1801   -1.4045    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
    4.3732   -1.2330    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7600   -1.7851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.8250    0.0000 O   0  0  0  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
    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 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  5  3  1  6  0  0  0 
  6  4  1  0  0  0  0 
  7  5  1  0  0  0  0 
  6  8  1  1  0  0  0 
  7  9  1  6  0  0  0 
  7 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
  5  6  1  0  0  0  0 
M  END
> <ID>
CHEBI:209424

> <NAME>
Polyporolide

> <STAR>
2

> <IUPAC_NAME>
(4R,5S)-4-hydroxy-5-[(1S)-1-hydroxyhexyl]oxolan-2-one

> <FORMULA>
C10H18O4

> <MASS>
202.250

> <MONOISOTOPIC_MASS>
202.12051

> <CHARGE>
0

> <SMILES>
O=C1O[C@@H]([C@@H](O)CCCCC)[C@@H](C1)O

> <INCHI>
InChI=1S/C10H18O4/c1-2-3-4-5-7(11)10-8(12)6-9(13)14-10/h7-8,10-12H,2-6H2,1H3/t7-,8+,10-/m0/s1

> <INCHIKEY>
RNEPLBQKCJIWGX-XKSSXDPKSA-N

$$$$