LMFA07020006
  LIPID_MAPS_STRUCTURE_DATABASE

 26 25  0  0  0  0  0  0  0  0999 V2000
   17.7309   -6.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5989   -6.6372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8564   -6.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9816   -6.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1067   -6.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2318   -6.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3570   -6.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4821   -7.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6073   -7.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7324   -7.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8576   -7.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9828   -7.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1079   -7.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331   -7.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3583   -7.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4834   -7.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6085   -7.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336   -7.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4650   -6.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3312   -6.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4649   -5.1370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8694   -7.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0016   -7.6336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1373   -7.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2696   -7.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1408   -6.1306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  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
  2 19  1  0     0  0
 19 20  1  0     0  0
 19 21  2  0     0  0
 18 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 24 26  2  0     0  0
M  END
> <LM_ID>
LMFA07020006

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(2E,4E,9Z)-octadecatrien-6-yne-1,18-diyl diacetate

> <FORMULA>
C22H32O4

> <MASS>
360.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax diesters [FA0702]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DTZDZUCBLITYQY-IYCXIOHDSA-N

> <INCHI>
InChI=1S/C22H32O4/c1-21(23)25-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-26-22(2)24/h3-4,12,14,16,18H,5-7,9,11,13,15,17,19-20H2,1-2H3/b4-3-,14-12+,18-16+

> <SMILES>
C(/C=C/C=C/C#CC/C=C\CCCCCCCCOC(=O)C)OC(=O)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44613548

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
48104

> <CITATION>
19994846

$$$$