LMFA01150048
  LIPID_MAPS_STRUCTURE_DATABASE

 16 16  0     0  0            999 V2000
   -2.7918   -0.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0137   -0.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2357   -0.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4255   -0.7304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3204   -0.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0985   -0.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8765   -0.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9622    0.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0468    0.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7918   -0.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7072   -0.1754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7918   -1.7608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4906    1.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5886    1.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7072   -0.7039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7918    0.8816    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
  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
  8 13  1  0     0  0
  9 14  1  0     0  0
  1 15  1  0     0  0
  1 16  2  0     0  0
M  END
> <LM_ID>
LMFA01150048

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

> <SYSTEMATIC_NAME>
3-(5-carboxymethyl-3,4-dimethylfuran-2-yl)-propionic 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-(5-carboxymethyl-3,4-dimethylfuran-2-yl)-propanoic acid

> <INCHI_KEY>
QFWCXMQJOBYESS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C11H14O5/c1-6-7(2)9(5-11(14)15)16-8(6)3-4-10(12)13/h3-5H2,1-2H3,(H,12,13)(H,14,15)

> <SMILES>
C(=O)(O)CC1=C(C)C(C)=C(CCC(=O)O)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186700

> <ABBREVIATION>
FA 11:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812132

> <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

$$$$