LMFA01150050
  LIPID_MAPS_STRUCTURE_DATABASE

 17 17  0     0  0            999 V2000
   -3.2000   -0.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4173   -0.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6345   -0.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8518   -0.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0367   -0.7348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7136   -0.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4964   -0.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2791   -0.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5766    0.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4385    0.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -0.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1209   -0.1764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -1.7714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9834    1.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1209   -0.0968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    1.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000   -1.6918    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
  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
 10 14  1  0     0  0
  1 15  1  0     0  0
  9 16  1  0     0  0
  1 17  2  0     0  0
M  END
> <LM_ID>
LMFA01150050

> <COMMON_NAME>
3,4-dimethyl-5-carboxyethyl-2-furanpropanoic acid

> <SYSTEMATIC_NAME>
3-(5-(2-carboxyethyl)-3,4-dimethyl-furan-2-yl)-propionic acid

> <FORMULA>
C12H16O5

> <MASS>
240.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Heterocyclic fatty acids [FA0115]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3,3'-(3,4-dimethylfuran-2,5-diyl)-dipropionic acid

> <INCHI_KEY>
KRGCZCCLCZHGNO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C12H16O5/c1-7-8(2)10(4-6-12(15)16)17-9(7)3-5-11(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197102

> <ABBREVIATION>
FA 12:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
126587412

> <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>
6849955

$$$$