LMFA07011009
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0  0  0  0            999 V2000
   -0.5359   -1.1959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2784   -0.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9385   -1.2784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2784    0.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5359    0.4534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5359   -0.5359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5359    0.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2784    0.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6810    0.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9385    0.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9385    1.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9385   -0.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9385    0.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6810    0.7009    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <LM_ID>
LMFA07011009

> <COMMON_NAME>
R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl

> <SYSTEMATIC_NAME>
3-methyl-2-[(3-methylbutanoyl)oxy]butanoic acid

> <FORMULA>
C10H18O4

> <MASS>
202.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SOJFCTIYHPWXGZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H18O4/c1-6(2)5-8(11)14-9(7(3)4)10(12)13/h6-7,9H,5H2,1-4H3,(H,12,13)

> <SMILES>
O=C(C(C(C)C)OC(CC(C)C)=O)O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0031510

> <CHEBI_ID>
169617

> <ABBREVIATION>
WE 10:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
22922043

> <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>
-

$$$$