LMFA01150046
  LIPID_MAPS_STRUCTURE_DATABASE

 16 16  0     0  0            999 V2000
    0.8090   -0.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5013    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4987    0.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8090   -0.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0008   -0.7453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750   -0.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5411   -0.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4072   -0.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2731   -0.1588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4072   -1.6588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750   -0.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5411   -0.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4072   -0.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2731   -0.1564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4072   -1.6564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0013    1.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  1  1  0     0  0
  1  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  8 10  2  0     0  0
  4 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 13 15  2  0     0  0
  2 16  1  0     0  0
M  END
> <LM_ID>
LMFA01150046

> <COMMON_NAME>
3-(3-methylfuran-2,5-diyl)-dipropionic acid

> <SYSTEMATIC_NAME>
3-methylfuran-(2,5-diyl)-dipropionic acid

> <FORMULA>
C11H14O5

> <MASS>
226.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Heterocyclic fatty acids [FA0115]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3-methyl-5-carboxyethyl-2-furanpropanoic acid

> <INCHI_KEY>
LVVGOPQBDMGEIB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C11H14O5/c1-7-6-8(2-4-10(12)13)16-9(7)3-5-11(14)15/h6H,2-5H2,1H3,(H,12,13)(H,14,15)

> <SMILES>
C1(CCC(=O)O)OC(CCC(=O)O)=CC=1C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185436

> <ABBREVIATION>
FA 11:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
86080306

> <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>
10116

> <CITATION>
29051014

$$$$