LMFA07010915
  LIPID_MAPS_STRUCTURE_DATABASE

 14 14  0  0  0  0            999 V2000
    0.0434    0.3428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8263   -0.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1741   -0.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7393   -1.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1292   -1.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5641   -0.8747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4338   -1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4338   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6511   -2.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4338    0.6908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0348    1.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4895    2.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2486    1.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010915

> <COMMON_NAME>
Isobutyl 2-furanpropionate

> <SYSTEMATIC_NAME>
2-methylpropyl 3-(furan-2-yl)propanoate

> <FORMULA>
C11H16O3

> <MASS>
196.11

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SVDPTFHRRNUNRS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C11H16O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-4,7,9H,5-6,8H2,1-2H3

> <SMILES>
O(CC(C)C)C(=O)CCC1=CC=CO1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037734

> <CHEBI_ID>
169336

> <ABBREVIATION>
WE 11:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
7733

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$