CDK    9/10/12,15:49

 26 28  0  0  0  0  0  0  0  0999 V2000
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   -2.0480  -15.7664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6378  -15.0468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1177  -15.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2822  -16.6174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0678  -16.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1451  -14.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1810  -18.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3564  -18.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0444  -17.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2047  -15.4763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0 
  4 13  1  6  0  0  0 
  6  7  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 16  1  0  0  0  0 
  7  8  1  0  0  0  0 
 14 15  2  0  0  0  0 
 17 16  1  0  0  0  0 
 17 18  1  0  0  0  0 
 16 18  1  0  0  0  0 
  4  5  1  0  0  0  0 
  8  9  1  0  0  0  0 
  2  1  1  1  0  0  0 
  3  2  1  0  0  0  0 
 17 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
  2  9  1  0  0  0  0 
  6 21  1  1  0  0  0 
  2  4  1  0  0  0  0 
 21 22  1  0  0  0  0 
  9 10  1  0  0  0  0 
 21 23  1  0  0  0  0 
 10 11  1  0  0  0  0 
  7 24  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 25  1  0  0  0  0 
 12  8  2  0  0  0  0 
  9 26  1  6  0  0  0 
M  END
> <ID>
CHEBI:67794

> <NAME>
Blumeaene M

> <DEFINITION>
A natural product found in Blumea balsamifera. 

> <STAR>
2

> <FORMULA>
C20H30O6

> <MASS>
366.44860

> <MONOISOTOPIC_MASS>
366.20424

> <CHARGE>
0

> <SMILES>
CC(C)[C@@H]1C[C@@H](OC(=O)C2(C)OC2C)[C@@](C)(O)[C@]2(O)CCC(C)=C2C1=O

> <INCHI>
InChI=1S/C20H30O6/c1-10(2)13-9-14(25-17(22)18(5)12(4)26-18)19(6,23)20(24)8-7-11(3)15(20)16(13)21/h10,12-14,23-24H,7-9H2,1-6H3/t12?,13-,14+,18?,19+,20-/m0/s1

> <INCHIKEY>
IKMKRVIHSCZYGK-UGUMGBLESA-N

> <PUBMED_CITATION>
21319848

$$$$