LMFA07010955
  LIPID_MAPS_STRUCTURE_DATABASE

 13 13  0  0  0  0            999 V2000
   -0.3285    2.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3299    1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3299    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3299   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3299   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3285   -2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3285   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0449    2.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0435    1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  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
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010955

> <COMMON_NAME>
Methyl 4-phenylbutanoate

> <SYSTEMATIC_NAME>
methyl 4-phenylbutanoate

> <FORMULA>
C11H14O2

> <MASS>
178.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YRYZGVBKMWFWGT-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C11H14O2/c1-13-11(12)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3

> <SMILES>
O(C)C(=O)CCCC1=CC=CC=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0036385

> <CHEBI_ID>
173827

> <ABBREVIATION>
SFE 11:4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
281254

> <LIPIDBANK_ID>
-

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

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

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

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$