CDK     1030232200

 14 16  0  0  0  0  0  0  0  0999 V2000
    0.7145    0.0000    0.0000 O   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
   -0.7536   -0.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862   -1.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3057   -0.6900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8932   -1.4045    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1127   -0.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4453   -2.0176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1990   -1.6820    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9526   -1.3465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2852   -2.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5047   -1.9596    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0921   -2.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3252   -1.8734    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 
  5  7  1  0  0  0  0 
  6  8  1  6  0  0  0 
  9  7  1  1  0  0  0 
  9 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 12 10  1  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  1  1  0  0  0 
  5  6  1  0  0  0  0 
  8  9  1  0  0  0  0 
 12 13  1  0  0  0  0 
M  END
> <ID>
CHEBI:208498

> <NAME>
Cephalosporolide F

> <STAR>
2

> <IUPAC_NAME>
(3aS,5S,5'R,6aS)-5'-methylspiro[3,3a,6,6a-tetrahydrouro[3,2-b]uran-5,2'-oxolane]-2-one

> <FORMULA>
C10H14O4

> <MASS>
198.218

> <MONOISOTOPIC_MASS>
198.08921

> <CHARGE>
0

> <SMILES>
O=C1O[C@H]2C[C@@]3(O[C@H](C)CC3)O[C@H]2C1

> <INCHI>
InChI=1S/C10H14O4/c1-6-2-3-10(13-6)5-8-7(14-10)4-9(11)12-8/h6-8H,2-5H2,1H3/t6-,7+,8+,10+/m1/s1

> <INCHIKEY>
XNJDUGALSDZUTA-VEVYYDQMSA-N

$$$$