52921785
  CDK     0930221742

 21 20  0  0  0  0  0  0  0  0999 V2000
   13.0806    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3663   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787    0.2063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7932   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5076    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0797   -0.2063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2219   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7941    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3652    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6509   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9365    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0797   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6509   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5085   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2230    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9373   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6518    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3663   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0 
  2 21  2  0  0  0  0 
  3  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  3  7  1  1  0  0  0 
  4  6  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
  9 12  1  0  0  0  0 
  9 15  1  1  0  0  0 
 10 14  2  0  0  0  0 
 11 17  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 13 16  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
M  END
> <ID>
CHEBI:193385

> <NAME>
16:4(2E,4E,8E,10E)(7Me[R],9Me,14Me[R])

> <STAR>
2

> <IUPAC_NAME>
(2E,4E,7R,8E,10E,14R)-7,9,14-trimethylhexadeca-2,4,8,10-tetraenoic acid

> <FORMULA>
C19H30O2

> <MASS>
290.447

> <MONOISOTOPIC_MASS>
290.22458

> <CHARGE>
0

> <SMILES>
OC(=O)\C=C\C=C\C[C@H](\C=C(\C=C\CC[C@@H](CC)C)/C)C

> <INCHI>
InChI=1S/C19H30O2/c1-5-16(2)11-9-10-13-18(4)15-17(3)12-7-6-8-14-19(20)21/h6-8,10,13-17H,5,9,11-12H2,1-4H3,(H,20,21)/b7-6+,13-10+,14-8+,18-15+/t16-,17-/m1/s1

> <INCHIKEY>
AHLLEVZDNYBWMJ-SCSFZPQPSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01020370

$$$$