LMFA01030883
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   20.9242    6.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7918    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9242    7.8635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0503    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1759    6.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3016    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4272    6.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5529    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6784    6.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8042    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9298    6.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0555    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1811    6.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3068    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4323    6.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5580    6.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6837    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8094    6.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    6.8615    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  2  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
M  END
> <LM_ID>
LMFA01030883

> <COMMON_NAME>
Catalpic acid

> <SYSTEMATIC_NAME>
9E,11E,13Z-octadecatrienoic acid

> <FORMULA>
C18H30O2

> <MASS>
278.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
18:3(9E,11E,13Z)

> <INCHI_KEY>
CUXYLFPMQMFGPL-WJTNUVGISA-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/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5-,8-7+,10-9+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180171

> <ABBREVIATION>
FA 18:3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5385589

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Octadecanoids [FA02]

> <ALT_SUB_CLASSES>


> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
155717

> <CITATION>
18778878

$$$$