LMFA07010520
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0  0  0  0  0  0  0  0999 V2000
   10.3806    7.0699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3806    6.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0852    5.8147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0852    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6120    5.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8433    6.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0747    5.9559    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3060    6.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5373    5.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7687    6.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0747    5.5155    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
  2  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
  7 12  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010520

> <COMMON_NAME>
Methyl 4-methyl-octanoate

> <SYSTEMATIC_NAME>
Methyl 4-methyl-octanoate

> <FORMULA>
C10H20O2

> <MASS>
172.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(1:0/8:0(4Me))

> <INCHI_KEY>
MGQFXJXUQLOUMY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H20O2/c1-4-5-6-9(2)7-8-10(11)12-3/h9H,4-8H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179558

> <ABBREVIATION>
SFE 10:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
519186

> <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>
-

> <CITATION>
-

$$$$