LMFA01030984
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0  0  0  0            999 V2000
    0.7298   -0.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004   -0.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004    0.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7298    1.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6487    1.8656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004   -1.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7298   -1.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7298   -0.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3789   -0.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1090   -0.6487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1090   -0.6487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4600   -0.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4600    0.6487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
> <LM_ID>
LMFA01030984

> <COMMON_NAME>
4-Formyl-3-(formylmethyl)-4-hexenoic acid

> <SYSTEMATIC_NAME>
(4E)-4-formyl-3-(2-oxoethyl)hex-4-enoic acid

> <FORMULA>
C9H12O4

> <MASS>
184.07

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DBMWDRVDXUPGBP-UQCOIBPSSA-N

> <INCHI>
InChI=1S/C9H12O4/c1-2-7(6-11)8(3-4-10)5-9(12)13/h2,4,6,8H,3,5H2,1H3,(H,12,13)/b7-2-

> <SMILES>
C(C(=O)O)C(/C(/C=O)=C\C)CC=O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0039650

> <CHEBI_ID>
169534

> <ABBREVIATION>
FA 9:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
59561170

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$