15 14  0  0  0  0  0  0  0  0999 V2000
    8.1200  -15.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3324  -15.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5449  -15.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7573  -15.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9697  -15.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1822  -15.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3946  -15.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6070  -15.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8195  -15.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9076  -15.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1200  -13.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2195  -15.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4624  -15.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6749  -15.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4699  -17.1497    0.0000 O   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  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  1 10  1  0     0  0
  1 11  1  0     0  0
  9 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 13 15  1  0     0  0
M  END
> <ID>
CHEBI:81585

> <NAME>
cis-11-Methyl-2-dodecenoic acid

> <STAR>
2

> <SYNONYM>
DSF

> <FORMULA>
C13H24O2

> <MASS>
212.32850

> <MONOISOTOPIC_MASS>
212.17763

> <CHARGE>
0

> <SMILES>
CC(C)CCCCCCC\C=C/C(O)=O

> <INCHI>
InChI=1S/C13H24O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h9,11-12H,3-8,10H2,1-2H3,(H,14,15)/b11-9-

> <INCHIKEY>
SNTXNGAQYNSTHI-LUAWRHEFSA-N

> <KEGG_COMPOUND_ACCESSION>
C18206

$$$$