LMFA07010727
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0  0  0  0            999 V2000
    2.1571    0.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4367    0.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4215   -0.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7287    0.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0068    0.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6998    0.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0068   -0.4234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7287   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4367   -0.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1571   -0.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4243    0.4234    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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010727

> <COMMON_NAME>
2-Methylpropyl 3-methylbutanoate

> <SYSTEMATIC_NAME>
2-methylpropyl 3-methylbutanoate

> <FORMULA>
C9H18O2

> <MASS>
158.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KEBDNKNVCHQIJU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H18O2/c1-7(2)5-9(10)11-6-8(3)4/h7-8H,5-6H2,1-4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038040

> <CHEBI_ID>
89086

> <ABBREVIATION>
WE 9:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11514

> <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>
-

$$$$