LMFA06000037
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0  0  0  0  0  0  0  0999 V2000
    5.8950    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6096    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3241    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0386    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7531    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4676    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1821    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8966    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8966    7.3099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6110    6.0725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1807    6.4849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8950    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  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  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  2  0  0  0  0
M  END
> <LM_ID>
LMFA06000037

> <COMMON_NAME>
2-octenedial

> <SYSTEMATIC_NAME>
2-octenedial

> <FORMULA>
C8H12O2

> <MASS>
140.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty aldehydes [FA06]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DZYVOBZUVXUJJG-HWKANZROSA-N

> <INCHI>
InChI=1S/C8H12O2/c9-7-5-3-1-2-4-6-8-10/h3,5,7-8H,1-2,4,6H2/b5-3+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
195728

> <ABBREVIATION>
FAL 8:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283332

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$