LMFA07010511
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0     0  0            999 V2000
    8.7741    9.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7741    8.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6032    7.6153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6032    6.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7999    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8697    7.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9651    8.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9651    9.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010511

> <COMMON_NAME>
ethyl 3-methyl-butanoate

> <SYSTEMATIC_NAME>
ethyl 3-methyl-butanoate

> <FORMULA>
C7H14O2

> <MASS>
130.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(2:0/4:0(3Me))

> <INCHI_KEY>
PPXUHEORWJQRHJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3

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

> <KEGG_ID>
C12290

> <HMDB_ID>
HMDB0030028

> <CHEBI_ID>
31571

> <ABBREVIATION>
SFE 7:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
7945

> <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>
66444

> <CITATION>
-

$$$$