17 17  0  0  0  0  0  0  0  0999 V2000
   28.8400  -22.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8400  -24.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0524  -24.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2649  -24.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2649  -22.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0524  -21.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4773  -24.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6897  -24.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6897  -22.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4773  -21.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8873  -24.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0756  -24.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.2664  -24.7731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.8874  -26.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8873  -21.9885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.2649  -21.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0524  -26.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  5  6  2  0     0  0
  1  6  1  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
  5 10  1  0     0  0
  8 11  2  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 11 14  1  0     0  0
  9 15  2  0     0  0
  5 16  1  0     0  0
  3 17  1  0     0  0
M  END
> <ID>
CHEBI:81129

> <NAME>
13-Hydroxygermacrone

> <STAR>
2

> <FORMULA>
C15H22O2

> <MASS>
234.33400

> <MONOISOTOPIC_MASS>
234.16198

> <CHARGE>
0

> <SMILES>
C\C(CO)=C1/C\C=C(C)\CCC=C(C)CC1=O

> <INCHI>
InChI=1S/C15H22O2/c1-11-5-4-6-12(2)9-15(17)14(8-7-11)13(3)10-16/h6-7,16H,4-5,8-10H2,1-3H3/b11-7+,12-6-,14-13-

> <INCHIKEY>
OYONKNQJEXRUQZ-PQDRPWSESA-N

> <KEGG_COMPOUND_ACCESSION>
C17491

$$$$