Marvin  11230614502D          

 17 16  0  0  0  0            999 V2000
   -4.6207    1.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4773    1.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7628    1.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3806    1.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0950    1.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9529    1.4692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2385    1.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2385    2.7067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9062    1.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9062    2.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8095    1.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8095    2.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0484    1.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0484    2.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5240    1.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3339    1.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1918    1.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 17  2  0  0  0  0
  9  1  1  0  0  0  0
 17  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 13  1  0  0  0  0
 13 16  2  0  0  0  0
 16  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 11  1  0  0  0  0
 11 15  2  0  0  0  0
 15  7  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  4  0  0  0
 13 14  1  4  0  0  0
M  END
> <ID>
CHEBI:36969

> <NAME>
farnesoic acid

> <DEFINITION>
A methyl-branched, trienoic fatty acid consisting of dodeca-2,6,10-trienoic acid having three methyl substituents at the 3-, 7- and 11-positions.

> <STAR>
3

> <IUPAC_NAME>
3,7,11-trimethyldodeca-2,6,10-trienoic acid

> <FORMULA>
C15H24O2

> <MASS>
236.34986

> <MONOISOTOPIC_MASS>
236.17763

> <CHARGE>
0

> <SMILES>
CC(C)=CCCC(C)=CCCC(C)=CC(O)=O

> <INCHI>
InChI=1S/C15H24O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h7,9,11H,5-6,8,10H2,1-4H3,(H,16,17)

> <INCHIKEY>
WJHFZYAELPOJIV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
7548-13-2

> <REAXYS_REGISTRY_NUMBER>
1785779

> <CHEMIDPLUS>
7548-13-2

> <PUBMED_CITATION>
11958988; 18242777; 19919838; 20965180; 21187079; 21195178; 21195763

$$$$