LMFA01150053
  LIPID_MAPS_STRUCTURE_DATABASE

 18 18  0     0  0            999 V2000
   -2.7742   -0.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0011   -0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2279   -0.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4228   -0.7258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3184   -0.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0916   -0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8647   -0.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9561    0.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0465    0.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7742   -0.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6839   -0.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5849    1.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6839   -0.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6839   -1.7498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5935   -0.1743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4813    1.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5935   -0.6994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6839    0.8760    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
  9 12  1  0     0  0
  1 13  1  0     0  0
 13 14  2  0     0  0
 13 15  1  0     0  0
  8 16  1  0     0  0
 11 17  1  0     0  0
 11 18  2  0     0  0
M  END
> <LM_ID>
LMFA01150053

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

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

> <FORMULA>
C13H18O5

> <MASS>
254.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Heterocyclic fatty acids [FA0115]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5-(3-carboxyethyl)-3,4-dimethyl-furan-2-yl-butanoic acid

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
193225

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812136

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMFA01150053

$$$$