LMFA06000254
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.9267    7.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6588    7.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5249    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3909    7.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2570    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1230    7.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9892    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9892    8.8605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8550    7.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3909    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  6 12  2  0  0  0  0
M  END
> <LM_ID>
LMFA06000254

> <COMMON_NAME>
4-oxo-nonenal

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

> <FORMULA>
C9H14O2

> <MASS>
154.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty aldehydes [FA06]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>
4-ONE

> <INCHI_KEY>
SEPPVOUBHWNCAW-FNORWQNLSA-N

> <INCHI>
InChI=1S/C9H14O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-8H,2-4,6H2,1H3/b7-5+

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0060285

> <CHEBI_ID>
58972

> <ABBREVIATION>
FAL 9:2;O

> <CAYMAN_ID>
10185

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6445537

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
10956056

$$$$