LMFA07010853
  LIPID_MAPS_STRUCTURE_DATABASE

 15 15  0  0  0  0            999 V2000
   -2.8581    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8581   -0.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1442   -1.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4318   -0.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4318    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1442    0.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7165    0.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0013    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138    0.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138    1.2378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0013   -0.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138   -1.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1429    0.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8581    0.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  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 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010853

> <COMMON_NAME>
Ethyl 2-ethyl-3-phenylpropanoate

> <SYSTEMATIC_NAME>
ethyl 2-benzylbutanoate

> <FORMULA>
C13H18O2

> <MASS>
206.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QDCUBAFTOOPBFR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C13H18O2/c1-3-12(13(14)15-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3

> <SMILES>
C1C=C(CC(CC)C(=O)OCC)C=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037194

> <CHEBI_ID>
186640

> <ABBREVIATION>
SFE 13:4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
62469

> <LIPIDBANK_ID>
-

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

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty esters [FA07]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]; Carbocyclic fatty acids [FA0114]; Short fatty esters [FA0710]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$