LMFA01030355
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   21.2436    6.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1299    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2436    7.8957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3510    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4578    6.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5647    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6715    6.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7784    6.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8852    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9922    6.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0990    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2058    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3127    6.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4194    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5264    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6331    6.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7402    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8469    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9539    6.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.3606    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  2  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <LM_ID>
LMFA01030355

> <COMMON_NAME>
Coniferonic acid

> <SYSTEMATIC_NAME>
5Z,9Z,12Z,15Z-octadecatetraenoic acid

> <FORMULA>
C18H28O2

> <MASS>
276.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
C18:4n-3,6,9,13; 18:4(5Z,9Z,12Z,15Z)

> <INCHI_KEY>
DNOBNGNBPVOMLW-XRPCLMINSA-N

> <INCHI>
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,13-14H,2,5,8,11-12,15-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,14-13-

> <SMILES>
C(CCC/C=C\CC/C=C\C/C=C\C/C=C\CC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
86135

> <ABBREVIATION>
FA 18:4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13751481

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Octadecanoids [FA02]

> <ALT_SUB_CLASSES>


> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
89191; 3055

> <CITATION>
-

$$$$