CDK     1030232200

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.2828   -2.7209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503   -2.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7349   -2.4909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503   -1.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2198   -1.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7349   -1.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5944   -2.5585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0448   -1.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4573   -2.5380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4573   -1.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0448   -0.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2269   -0.5022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5470    0.2600    0.0000 C   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
    5.4393    1.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4647    0.8180    0.0000 C   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
    4.7848    1.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9669    1.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    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
    0.7144    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 
  3  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  8 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
 14 17  1  0  0  0  0 
 15 18  1  0  0  0  0 
 16 19  1  0  0  0  0 
 17 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  5  6  1  0  0  0  0 
 18 19  1  0  0  0  0 
M  END
> <ID>
CHEBI:206564

> <NAME>
Gloeosporone

> <STAR>
2

> <IUPAC_NAME>
5-hydroxy-5-[2-(8-pentyloxocan-2-yl)acetyl]oxolan-2-one

> <FORMULA>
C18H30O5

> <MASS>
326.433

> <MONOISOTOPIC_MASS>
326.20932

> <CHARGE>
0

> <SMILES>
O=C1OC(O)(C(=O)CC2OC(CCCCC2)CCCCC)CC1

> <INCHI>
InChI=1S/C18H30O5/c1-2-3-5-8-14-9-6-4-7-10-15(22-14)13-16(19)18(21)12-11-17(20)23-18/h14-15,21H,2-13H2,1H3

> <INCHIKEY>
XGFGONPCXDNIMO-UHFFFAOYSA-N

$$$$