LMFA07010922
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0            999 V2000
    1.7969    1.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0765    0.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0614   -0.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3684    1.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3533    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0600    1.2373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3670   -0.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0888   -0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1026   -1.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7969    0.0109    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
  8 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010922

> <COMMON_NAME>
Isopropyl 3-methylbutanoate

> <SYSTEMATIC_NAME>
propan-2-yl 3-methylbutanoate

> <FORMULA>
C8H16O2

> <MASS>
144.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZOIRKXLFEHOVER-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H16O2/c1-6(2)5-8(9)10-7(3)4/h6-7H,5H2,1-4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0032046

> <CHEBI_ID>
179939

> <ABBREVIATION>
WE 8:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
61914

> <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>
-

$$$$