LMFA07010950
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0            999 V2000
    1.4417    0.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7219    0.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7068   -0.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0144    0.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7068    0.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4129    0.8242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7206   -0.4231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4417   -0.8242    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010950

> <COMMON_NAME>
Methyl 3-methylbutanoate

> <SYSTEMATIC_NAME>
methyl 3-methylbutanoate

> <FORMULA>
C6H12O2

> <MASS>
116.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OQAGVSWESNCJJT-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0030027

> <CHEBI_ID>
89832

> <ABBREVIATION>
SFE 6:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11160

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$