LMFA07010979
  LIPID_MAPS_STRUCTURE_DATABASE

 26 25  0  0  0  0            999 V2000
   -8.0441   -0.9648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1751   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1751    0.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4037    0.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5346    0.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5346   -0.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4630   -0.9014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8227    0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1077    0.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3930    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6781    0.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9633    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2485    0.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5337    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1811    0.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8960    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6108    0.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3255    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0403    0.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7553    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4701    0.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1848    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8997    0.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6144    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3294    0.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0441    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  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
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010979

> <COMMON_NAME>
Octadecyl fumarate

> <SYSTEMATIC_NAME>
(2Z)-4-(octadecyloxy)-4-oxobut-2-enoic acid

> <FORMULA>
C22H40O4

> <MASS>
368.29

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MHQJUHSHQGQVTM-HNENSFHCSA-N

> <INCHI>
InChI=1S/C22H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24/h18-19H,2-17,20H2,1H3,(H,23,24)/b19-18-

> <SMILES>
O=C(O)/C=C\C(OCCCCCCCCCCCCCCCCCC)=O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038073

> <CHEBI_ID>
169222

> <ABBREVIATION>
WE 22:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6436905

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$