LMFA01150060
  LIPID_MAPS_STRUCTURE_DATABASE

 18 18  0     0  0            999 V2000
   -2.7743   -0.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0011   -1.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2279   -0.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4228   -1.1608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3184   -0.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0916   -1.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8648   -0.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9561    0.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0465    0.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7743   -1.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6839   -0.6094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7743   -2.1849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4813    1.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5849    1.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6839   -1.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6352    1.2753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0597    2.1849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0011   -2.1061    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
 14 16  1  0     0  0
 14 17  2  0     0  0
  2 18  1  0     0  0
M  END
> <LM_ID>
LMFA01150060

> <COMMON_NAME>
3-carboxy-4-methyl-5-(1-hydroxypropyl)-2-furanpropionic acid

> <SYSTEMATIC_NAME>
3-(3-carboxy-4-methyl-5-(1-hydroxypropyl)-furan-2-yl)-propionic acid

> <FORMULA>
C12H16O6

> <MASS>
256.09

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Heterocyclic fatty acids [FA0115]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3-(2-carboxyethyl)-5-(1-hydroxypropyl)-4-methylfuran-3-carboxylic acid

> <INCHI_KEY>
OZOJARPUDFLESM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C12H16O6/c1-3-7(13)11-6(2)10(12(16)17)8(18-11)4-5-9(14)15/h7,13H,3-5H2,1-2H3,(H,14,15)(H,16,17)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
169118

> <ABBREVIATION>
FA 12:4;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
129725053

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
10116

> <CITATION>
6849955

$$$$