LMFA06000129
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0     0  0            999 V2000
   12.4552    7.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3616    7.1058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4552    8.4676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5420    7.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6284    7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7150    7.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8014    7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8878    7.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9742    7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7150    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  2  0  0  0  0
M  END
> <LM_ID>
LMFA06000129

> <COMMON_NAME>
4-oxo-2E-Octenal

> <SYSTEMATIC_NAME>
4-oxo-2E-Octenal

> <FORMULA>
C8H12O2

> <MASS>
140.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty aldehydes [FA06]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KKCMFNUPOSVKRS-GQCTYLIASA-N

> <INCHI>
InChI=1S/C8H12O2/c1-2-3-5-8(10)6-4-7-9/h4,6-7H,2-3,5H2,1H3/b6-4+

> <SMILES>
C(/C=C/C(=O)CCCC)(=O)[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186886

> <ABBREVIATION>
FAL 8:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5362996

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1149918

> <CITATION>
24408728

$$$$