LMFA01150019
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
   -7.9670   -0.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1656   -0.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3642   -0.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5628   -0.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7282   -0.7931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9600   -0.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1585   -0.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3571   -0.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5557   -0.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7543   -0.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0471   -0.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8485   -0.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4514   -0.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2528   -0.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2810    0.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2417    0.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1956   -0.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6973    1.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1385   -0.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813   -0.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0241   -0.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8254    1.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9670   -0.1399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0241   -1.7729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
  4 16  2  0     0  0
  6 17  2  0     0  0
 16 17  1  0     0  0
 15 18  1  0     0  0
 17 19  1  0     0  0
 18 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 16 23  1  0     0  0
 22 24  1  0     0  0
 22 25  2  0     0  0
M  END
> <LM_ID>
LMFA01150019

> <COMMON_NAME>
13-(3,4-dimethyl-5-propylfuran-2-yl)-tridecanoic acid

> <SYSTEMATIC_NAME>
13-(5-propyl-3,4-dimethylfuran-2-yl)-tridecanoic acid

> <FORMULA>
C22H38O3

> <MASS>
350.28

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Heterocyclic fatty acids [FA0115]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
13D3; 3,4-dimethyl-5-propyl-2-furantridecanoic acid

> <INCHI_KEY>
IGZNOKSSNQTWMY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H38O3/c1-4-15-20-18(2)19(3)21(25-20)16-13-11-9-7-5-6-8-10-12-14-17-22(23)24/h4-17H2,1-3H3,(H,23,24)

> <SMILES>
CCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)O)O1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0112078

> <CHEBI_ID>
177123

> <ABBREVIATION>
FA 22:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
71374382

> <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>
9913; 8018

> <CITATION>
29051014; 29051014

$$$$