LMFA01150047
  LIPID_MAPS_STRUCTURE_DATABASE

 19 19  0     0  0            999 V2000
   -3.7034   -0.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9114   -0.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1195   -0.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3276   -0.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5030   -0.7434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2562   -0.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0482   -0.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8401   -0.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0492    0.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0222    0.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7718   -0.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7034   -0.1785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7718   -1.7922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5871    1.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4778    1.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4778    1.7267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0222    2.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5694   -0.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4354   -0.6358    0.0000 C   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
  4  9  2  0     0  0
  6 10  2  0     0  0
  9 10  1  0     0  0
  8 11  1  0     0  0
 11 12  1  0     0  0
 11 13  2  0     0  0
  9 14  1  0     0  0
 10 15  1  0     0  0
 15 16  1  0     0  0
 15 17  2  0     0  0
  1 18  1  0     0  0
 18 19  1  0     0  0
M  END
> <LM_ID>
LMFA01150047

> <COMMON_NAME>
3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acid

> <SYSTEMATIC_NAME>
3-(3-carboxy-4-methyl-5-pentyl-furan-2-yl)-propionic acid

> <FORMULA>
C14H20O5

> <MASS>
268.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Heterocyclic fatty acids [FA0115]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
CMPentylF; 2-(2-carboxyethyl)-4-methyl-5-pentylfuran-3-carboxylic acid

> <INCHI_KEY>
RIJDKRLRDVBUHJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C14H20O5/c1-3-4-5-6-10-9(2)13(14(17)18)11(19-10)7-8-12(15)16/h3-8H2,1-2H3,(H,15,16)(H,17,18)

> <SMILES>
C(CC)CCC1=C(C)C(C(=O)O)=C(CCC(=O)O)O1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0061643

> <CHEBI_ID>
165398

> <ABBREVIATION>
FA 14:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
194501

> <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>
9606

> <CITATION>
-

$$$$