LMFA12000417
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0  0  0  0  0  0  0  0999 V2000
   14.8856   -6.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9348   -6.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9838   -6.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0325   -6.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0815   -6.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1304   -6.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1793   -6.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9348   -7.7472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0325   -7.7472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0815   -5.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0307   -5.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7500   -6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6176   -6.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0     0  0
 12 13  1  0     0  0
M  END
> <LM_ID>
LMFA12000417

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3-Ethyl-4,6-nonandione

> <FORMULA>
C11H20O2

> <MASS>
184.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FXIUOBFYAGRWJN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C11H20O2/c1-4-7-10(12)8-11(13)9(5-2)6-3/h9H,4-8H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11694018

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
8499

> <CITATION>
16792401

$$$$