6441391
  CDK     1019211304

 17 17  0  0  0  0  0  0  0  0999 V2000
    5.2224   -0.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.9818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.2558    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3644    0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.6683    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5079    0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1897   -0.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0 
  2  8  2  0  0  0  0 
  3  4  1  6  0  0  0 
  3  5  1  0  0  0  0 
  3  8  1  0  0  0  0 
  4 12  1  0  0  0  0 
  4 13  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6  9  1  0  0  0  0 
  6 15  1  1  0  0  0 
  8 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 14  1  0  0  0  0 
 11 16  1  0  0  0  0 
 14 16  2  0  0  0  0 
 14 17  1  0  0  0  0 
M  END
> <ID>
CHEBI:182403

> <NAME>
Germacr-1(10)-ene-5,8-dione

> <STAR>
2

> <IUPAC_NAME>
(3S,6E,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione

> <FORMULA>
C15H24O2

> <MASS>
236.355

> <MONOISOTOPIC_MASS>
236.17763

> <CHARGE>
0

> <SMILES>
O=C1C[C@@H](C(C)C)C(=O)CC(=CCC[C@@H]1C)C

> <INCHI>
InChI=1S/C15H24O2/c1-10(2)13-9-14(16)12(4)7-5-6-11(3)8-15(13)17/h6,10,12-13H,5,7-9H2,1-4H3/b11-6+/t12-,13-/m0/s1

> <INCHIKEY>
KDPFMRXIVDLQKX-NHFJXKHHSA-N

> <KEGG_COMPOUND_ACCESSION>
C17493

$$$$