LMFA01020077
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
    5.0000    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    6.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    6.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    7.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7146    5.0000    0.0000 C   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
  4  6  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020077

> <COMMON_NAME>
diethyl acetic acid

> <SYSTEMATIC_NAME>
2-ethyl-butanoic acid

> <FORMULA>
C6H12O2

> <MASS>
116.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OXQGTIUCKGYOAA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0031221

> <CHEBI_ID>
173424

> <ABBREVIATION>
FA 6:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6915

> <LIPIDBANK_ID>
DFA7045

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$