LMFA01150049
  LIPID_MAPS_STRUCTURE_DATABASE

 17 17  0     0  0            999 V2000
   -2.7673   -1.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9767   -0.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1860   -1.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3953   -0.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4280   -1.1871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1860   -0.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9767   -1.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7673   -0.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1173    0.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9079    0.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6974   -1.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6276   -0.6232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6974   -2.2343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4585    1.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6480   -0.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5286   -1.0797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6480    0.4456    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
 15 16  1  0     0  0
 15 17  2  0     0  0
M  END
> <LM_ID>
LMFA01150049

> <COMMON_NAME>
3-methyl-5-carboxypropyl-2-furanpropanoic acid

> <SYSTEMATIC_NAME>
3-(5-(3-carboxypropyl)-3-methyl-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>


> <INCHI_KEY>
HZVYFXMSXIRDBK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C12H16O5/c1-8-7-9(3-2-4-11(13)14)17-10(8)5-6-12(15)16/h7H,2-6H2,1H3,(H,13,14)(H,15,16)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184514

> <ABBREVIATION>
FA 12:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812133

> <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

$$$$