LMFA03000013
  LIPID_MAPS_STRUCTURE_DATABASE

 30 29  0  0  0  0  0  0  0  0999 V2000
    5.0000    8.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7187    7.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375    7.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1561    7.0482    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8749    7.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5936    7.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4016    7.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0797    7.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7577    7.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4358    7.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1138    7.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7918    7.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1782    6.3593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9374    5.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6969    6.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4563    5.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2157    6.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9454    5.2632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4643    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7376    8.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4735    8.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3817    8.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1682    8.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9548    8.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7413    8.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5277    8.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3143    8.7707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1008    8.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5291    7.7059    0.0000 O   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
  3  4  2  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  1  0  0  0  0
 12 13  1  0  0  0  0
  5 14  1  1  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
 15 19  2  0  0  0  0
 17 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  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
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  2  0  0  0  0
M  END
> <LM_ID>
LMFA03000013

> <COMMON_NAME>
Dichotellate B

> <SYSTEMATIC_NAME>
Methyl 12R-(3-methylbutanoyloxy)-5Z,8Z,10E,14Z-eicosatetraenoate

> <FORMULA>
C26H42O4

> <MASS>
418.31

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Other Eicosanoids [FA0300]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OKHPUUNJBPCHEJ-WFYRLPSZSA-N

> <INCHI>
InChI=1S/C26H42O4/c1-5-6-7-8-13-16-19-24(30-26(28)22-23(2)3)20-17-14-11-9-10-12-15-18-21-25(27)29-4/h10-14,16-17,20,23-24H,5-9,15,18-19,21-22H2,1-4H3/b12-10-,14-11-,16-13-,20-17+/t24-/m1/s1

> <SMILES>
C(/C/C=C\CCCC(=O)OC)=C/C=C/[C@H](OC(=O)CC(C)C)C/C=C\CCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165298

> <ABBREVIATION>
FA 26:5;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921875

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
767270

> <CITATION>
21080235

$$$$