LMFA07010890
  LIPID_MAPS_STRUCTURE_DATABASE

 13 13  0  0  0  0            999 V2000
    0.0165    0.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    0.7387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2204    0.7387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7055    0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4903    0.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4903    1.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7055    1.4053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8411    0.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2534   -0.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0780   -0.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4903   -1.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4903    0.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2534    0.7387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010890

> <COMMON_NAME>
Furfuryl isovalerate

> <SYSTEMATIC_NAME>
furan-2-ylmethyl 3-methylbutanoate

> <FORMULA>
C10H14O3

> <MASS>
182.09

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FKGUIBCHHSHJNQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H14O3/c1-8(2)6-10(11)13-7-9-4-3-5-12-9/h3-5,8H,6-7H2,1-2H3

> <SMILES>
O(C(=O)CC(C)C)CC1OC=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0039874

> <CHEBI_ID>
179566

> <ABBREVIATION>
WE 10:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
61658

> <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>
-

$$$$