LMFA01150051
  LIPID_MAPS_STRUCTURE_DATABASE

 17 17  0     0  0            999 V2000
   -2.3264   -0.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5509   -0.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7755   -0.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0321   -0.7280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7755   -0.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5509   -0.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3264   -0.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5028    0.8428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5028    0.8428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2387   -0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1509   -0.1748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2387   -1.7550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0427    1.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2387   -0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2387   -1.7550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1509   -0.1748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0296    1.7550    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  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  3  8  2  0     0  0
  5  9  2  0     0  0
  8  9  1  0     0  0
  7 10  1  0     0  0
 10 11  1  0     0  0
 10 12  2  0     0  0
  9 13  1  0     0  0
  1 14  1  0     0  0
 14 15  2  0     0  0
 14 16  1  0     0  0
  8 17  1  0     0  0
M  END
> <LM_ID>
LMFA01150051

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

> <SYSTEMATIC_NAME>
3-(5-(2-carboxyethyl)-3,4-dimethylfuran-2-yl)-2E-propenoic acid

> <FORMULA>
C12H14O5

> <MASS>
238.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Heterocyclic fatty acids [FA0115]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(E)-3-(5-(2-carboxyethyl)-3,4-dimethylfuran-2-yl)-acrylic acid

> <INCHI_KEY>
CPSCLNDMBZOUQX-HWKANZROSA-N

> <INCHI>
InChI=1S/C12H14O5/c1-7-8(2)10(4-6-12(15)16)17-9(7)3-5-11(13)14/h3,5H,4,6H2,1-2H3,(H,13,14)(H,15,16)/b5-3+

> <SMILES>
C(/C(O)=O)=C\C1=C(C)C(C)=C(CCC(=O)O)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
177978

> <ABBREVIATION>
FA 12:5;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812134

> <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

$$$$