LMFA07010504
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0  0  0  0  0  0  0  0999 V2000
   11.5415    9.1373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5415    8.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3830    7.6383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3830    6.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5678    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6504    6.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7325    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8146    6.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8965    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9786    6.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6236    7.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7057    8.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6236    7.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010504

> <COMMON_NAME>
SFE 8:0/3:0(2Me)

> <SYSTEMATIC_NAME>
Octyl 2-methylpropanoate

> <FORMULA>
C12H24O2

> <MASS>
200.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
; Octyl isobutyrate

> <INCHI_KEY>
PQCYCHFQWMNQRJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h11H,4-10H2,1-3H3

> <SMILES>
O=C(C(C)C)OCCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0034137

> <CHEBI_ID>
179746

> <ABBREVIATION>
WE 12:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
61024

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty esters [FA07]

> <ALT_SUB_CLASSES>
Short fatty esters [FA0710]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
29026

> <CITATION>
-

$$$$