LMFA07010913
  LIPID_MAPS_STRUCTURE_DATABASE

 15 15  0  0  0  0            999 V2000
    0.0434    0.1236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8262   -0.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1740   -1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7392   -1.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1291   -1.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5640   -1.0939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4336   -1.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4336   -2.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6509   -2.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336    0.4714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0347    0.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4894    2.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0920    2.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1912    2.3487    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
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010913

> <COMMON_NAME>
Isoamyl 2-furonpropionate

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

> <FORMULA>
C12H18O3

> <MASS>
210.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZVMWAVZRUZDYMV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C12H18O3/c1-10(2)7-9-15-12(13)6-5-11-4-3-8-14-11/h3-4,8,10H,5-7,9H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037735

> <CHEBI_ID>
-

> <ABBREVIATION>
WE 12:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
538506

> <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>
-

$$$$