LMFA07010571
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0     0  0            999 V2000
   10.3819   10.1878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3819    9.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1742    8.7765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1742    7.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5177    8.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6535    9.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7892    8.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9248    9.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3099    7.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4457    7.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5815    7.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3099    6.0606    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
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010571

> <COMMON_NAME>
WE 4:0(2Me)/6:0

> <SYSTEMATIC_NAME>
2-Methylbutyl hexanoate

> <FORMULA>
C11H22O2

> <MASS>
186.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(4:0(2Me)/6:0)

> <INCHI_KEY>
ZWMQVDONBUJJLL-UHFFFAOYSA-N

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

> <SMILES>
O=C(CCCCC)OCC(C)CC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0059860

> <CHEBI_ID>
156542

> <ABBREVIATION>
WE 11:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102855

> <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>
186376

> <CITATION>
24307127

$$$$