CDK     1030232203

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.8578   -0.4125    0.0000 O   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.8250    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  1  0  0  0  0  0  0  0  0  0
    0.4515   -1.4072    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4801    0.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4897   -1.0764    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0846   -2.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763   -1.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2195    1.0411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2665    0.0092    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2725   -0.8158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5390   -1.5139    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7387   -2.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0192   -0.8429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7166    0.7005    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 
  6  5  1  6  0  0  0 
  7  6  1  0  0  0  0 
  6  8  1  0  0  0  0 
  9  6  1  0  0  0  0 
  7 10  1  0  0  0  0 
  7 11  1  1  0  0  0 
  8 12  1  0  0  0  0 
 13  8  1  0  0  0  0 
  9 14  1  6  0  0  0 
 15  9  1  0  0  0  0 
 10 16  2  0  0  0  0 
 13 17  1  0  0  0  0 
 13 18  1  6  0  0  0 
 13 14  1  0  0  0  0 
 15 16  1  0  0  0  0 
 15 17  1  1  0  0  0 
M  END
> <ID>
CHEBI:225802

> <NAME>
Trichocladinol A

> <STAR>
2

> <IUPAC_NAME>
[(1R,3R,6S,7S,8S)-10-hydroxy-1,6-dimethyl-2,9-dioxatricyclo[5.2.1.03,8]dec-4-en-7-yl]methyl acetate

> <FORMULA>
C13H18O5

> <MASS>
254.282

> <MONOISOTOPIC_MASS>
254.11542

> <CHARGE>
0

> <SMILES>
O=C(OC[C@]12[C@H](C=C[C@@H]3[C@H]1O[C@](C2O)(O3)C)C)C

> <INCHI>
InChI=1S/C13H18O5/c1-7-4-5-9-10-13(7,6-16-8(2)14)11(15)12(3,17-9)18-10/h4-5,7,9-11,15H,6H2,1-3H3/t7-,9+,10+,11?,12+,13-/m0/s1

> <INCHIKEY>
OORYNKYVIJUTKH-GURNUUQQSA-N

$$$$