LMFA01031360
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   -0.4386   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4386   -0.7598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4386    0.7598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3224   -0.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2066   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0908   -0.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9749   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8591   -0.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7432   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6274   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5116   -0.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3957   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2799   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1641   -0.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0482   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9324   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8165   -0.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7007   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5849   -0.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4690   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3532   -0.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2374   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.1215   -0.7598    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  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <LM_ID>
LMFA01031360

> <COMMON_NAME>
Yamanakanic acid

> <SYSTEMATIC_NAME>
7Z,10Z,13Z-heneicosatrienoic acid

> <FORMULA>
C21H36O2

> <MASS>
320.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
C21:3n-8,11,14

> <INCHI_KEY>
NSVDDLBXCXCPDL-ORZIMQNZSA-N

> <INCHI>
InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h8-9,11-12,14-15H,2-7,10,13,16-20H2,1H3,(H,22,23)/b9-8-,12-11-,15-14-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197306

> <ABBREVIATION>
FA 21:3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
168499384

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
37402773

$$$$