LMFA07010521
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0     0  0            999 V2000
   12.5660    9.1755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5660    8.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4180    7.6579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4180    6.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5927    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6368    7.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7075    8.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7780    7.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8487    8.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9194    7.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9899    8.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7780    7.2962    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
  2  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
 11 12  1  0  0  0  0
  8 13  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010521

> <COMMON_NAME>
SFE 2:0/8:0(4Me)

> <SYSTEMATIC_NAME>
ethyl 4-methyl-octanoate

> <FORMULA>
C11H22O2

> <MASS>
186.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(2:0/8:0(4Me))

> <INCHI_KEY>
GXARNRCIGKRBAP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C11H22O2/c1-4-6-7-10(3)8-9-11(12)13-5-2/h10H,4-9H2,1-3H3

> <SMILES>
O=C(CCC(C)CCCC)OCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179391

> <ABBREVIATION>
SFE 11:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
92058

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
72549

> <CITATION>
-

$$$$