LMFA07010951
  LIPID_MAPS_STRUCTURE_DATABASE

 12 12  0  0  0  0            999 V2000
   -0.2398    2.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4807    1.6823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3203   -0.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4009   -0.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4009   -1.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3203   -2.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0417   -1.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0417   -0.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -0.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3203    0.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4002    0.6403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
> <LM_ID>
LMFA07010951

> <COMMON_NAME>
Methyl 3-phenylpropanoate

> <SYSTEMATIC_NAME>
methyl 3-phenylpropanoate

> <FORMULA>
C10H12O2

> <MASS>
164.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RPUSRLKKXPQSGP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H12O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

> <SMILES>
COC(=O)CCC1C=CC=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0030060

> <CHEBI_ID>
89875

> <ABBREVIATION>
SFE 10:4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
7643

> <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]; Carbocyclic fatty acids [FA0114]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$