LMFA07100022
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0  0  0  0  0  0  0  0999 V2000
   19.0786   -0.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9402   -1.2495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0786    0.2427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2107   -1.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3425   -0.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4742   -1.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6059   -0.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7376   -1.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8694   -0.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0011   -1.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328   -1.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2645   -2.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3962   -1.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5280   -2.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6597   -1.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7914   -2.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9231   -1.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0549   -2.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1866   -1.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3183   -2.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8062   -0.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  3  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  2 21  1  0     0  0
M  END
> <LM_ID>
LMFA07100022

> <COMMON_NAME>
SFE 1:0/18:3(6E,8Y)

> <SYSTEMATIC_NAME>
Methyl octadec-6E-en-8-ynoate

> <FORMULA>
C19H32O2

> <MASS>
292.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Methyl (E)-octadec-6-en-8-ynoate

> <INCHI_KEY>
GVUKZYLIFHKUDR-BUHFOSPRSA-N

> <INCHI>
InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h13-14H,3-10,15-18H2,1-2H3/b14-13+

> <SMILES>
C(CCCC/C=C/C#CCCCCCCCCC)(=O)OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
SFE 19:3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178328656

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
453089

> <CITATION>
41471778

$$$$