LMFA02000299
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   -0.4368   -0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4368   -0.7567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4368    0.7567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3170   -0.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1976   -0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0781   -0.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9587   -0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8392   -0.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7198   -0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6003   -0.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4809   -0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3614   -0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2420   -0.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1225   -0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0031   -0.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8836   -0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7642   -0.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6447   -0.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5253   -0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4058   -0.7567    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  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  2  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  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000299

> <COMMON_NAME>
Rumelenic acid

> <SYSTEMATIC_NAME>
9Z,11E,15Z-octadecatrienoic acid

> <FORMULA>
C18H30O2

> <MASS>
278.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
C18:3n-3,7,9; octadeca-9Z,11E,15Z-trienoic acid; RLnA

> <INCHI_KEY>
WTMLOMJSCCOUNI-QQFSJYTNSA-N

> <INCHI>
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,7-10H,2,5-6,11-17H2,1H3,(H,19,20)/b4-3-,8-7+,10-9-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
48907

> <ABBREVIATION>
FA 18:3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9925637

> <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>
9913

> <CITATION>
16107413

$$$$