Ketcher 06231515382D 1   1.00000     0.00000     0

 20 19  0     0  0            999 V2000
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   13.4327   -4.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5666   -5.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4327   -3.8753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7006   -4.8752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8345   -5.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9686   -4.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1025   -5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2364   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3704   -5.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2987   -5.3754    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
    4.7724   -4.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9063   -5.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9063   -6.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7722   -6.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6382   -6.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5043   -6.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3704   -6.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2364   -6.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0     0  0
  3  4  1  0     0  0
  3  5  2  0     0  0
  3 12  1  0     0  0
  4  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
  2 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 16 15  1  0     0  0
 17 16  1  0     0  0
 18 17  1  0     0  0
 19 18  1  0     0  0
 20 19  1  0     0  0
M  END
> <ID>
CHEBI:86118

> <NAME>
(8E,10E,12Z)-octadecatrienoyl group

> <DEFINITION>
A fatty-acyl group derived from (8E,10E,12Z)-octadecatrienoic acid

> <STAR>
3

> <SYNONYM>
calendoyl group; (8E,10E,12Z)-octadecatrienoyl group; (8E,10E,12Z)-octadeca-8,10,12-trienoyl group

> <FORMULA>
C18H29O

> <MASS>
261.42230

> <MONOISOTOPIC_MASS>
261.22184

> <CHARGE>
0

> <SMILES>
CCCCC\C=C/C=C/C=C/CCCCCCC(-*)=O

> <METACYC_ACCESSION>
Calendoyl-Lipid

$$$$