LMFA01150045
  LIPID_MAPS_STRUCTURE_DATABASE

 18 18  0     0  0            999 V2000
   -0.1125   -0.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6528    0.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4497   -0.3249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1834    0.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9488   -0.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7141    0.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9218    1.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9144    1.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6145   -0.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5148    0.2209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6145   -1.3386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0130    0.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9134    0.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8137    1.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7141    0.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6145    1.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5148    0.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -1.2606    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  2  0     0  0
  2  7  2  0     0  0
  4  8  2  0     0  0
  7  8  1  0     0  0
  6  9  1  0     0  0
  9 10  1  0     0  0
  9 11  2  0     0  0
  1 12  1  0     0  0
 12 13  3  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
  1 18  2  0     0  0
M  END
> <LM_ID>
LMFA01150045

> <COMMON_NAME>
5-((E)-hept-4-en-2-yne-1-one-1-yl)-2-furanacrylic acid

> <SYSTEMATIC_NAME>
(E)-3-(5-((E)-hept-4-en-2-ynoyl)-furan-2-yl)-acrylic acid

> <FORMULA>
C14H12O4

> <MASS>
244.07

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Heterocyclic fatty acids [FA0115]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(E)-3-(5-((E)-hept-4-en-2-yn-1-yl)-furan-2-yl)-acrylic acid; wyerone

> <INCHI_KEY>
ZLZFXXJOALTVDA-FJMRRMLCSA-N

> <INCHI>
InChI=1S/C14H12O4/c1-2-3-4-5-6-12(15)13-9-7-11(18-13)8-10-14(16)17/h3-4,7-10H,2H2,1H3,(H,16,17)/b4-3+,10-8+

> <SMILES>
C(=O)(C#C/C=C/CC)C1=CC=C(/C=C/C(=O)O)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187264

> <ABBREVIATION>
FA 14:8;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6123028

> <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]; Oxo fatty acids [FA0106]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
3906

> <CITATION>
29051014

$$$$