LMFA07010723
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0  0  0  0            999 V2000
   -1.0720    1.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573    2.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573    1.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0720    2.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573    0.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573    0.4123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0720    0.4123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573   -0.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573   -1.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0720   -2.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0720   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010723

> <COMMON_NAME>
2-Methylbutyl 2-methylbutanoate

> <SYSTEMATIC_NAME>
2-methylbutyl 2-methylbutanoate

> <FORMULA>
C10H20O2

> <MASS>
172.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PVYFCGRBIREQLL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H20O2/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0039218

> <CHEBI_ID>
179543

> <ABBREVIATION>
WE 10:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
17129

> <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>
-

$$$$