LMFA07010518
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0     0  0            999 V2000
   11.6765    9.1978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6765    8.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5346    7.6694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5346    6.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7033    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7407    7.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8047    8.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8687    7.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9326    8.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9966    7.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8687    7.3050    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
  8 12  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010518

> <COMMON_NAME>
SFE 2:0/7:0(4Me)

> <SYSTEMATIC_NAME>
ethyl 4-methyl-heptanoate

> <FORMULA>
C10H20O2

> <MASS>
172.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(2:0/7:0(4Me))

> <INCHI_KEY>
NYSADWJQUICPEE-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179559

> <ABBREVIATION>
SFE 10:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10773534

> <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>
72550

> <CITATION>
24233683

$$$$