LMFA07010568
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0     0  0            999 V2000
    8.6613   10.2004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6613    9.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4559    8.7848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4559    7.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7944    8.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9275    9.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7944    7.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5891    7.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7221    7.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5891    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
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010568

> <COMMON_NAME>
SFE 3:0(2Me)/4:0(2Me)

> <SYSTEMATIC_NAME>
2-Methylpropyl 2-methylbutanoate

> <FORMULA>
C9H18O2

> <MASS>
158.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(3:0(2Me)/4:0(2Me))

> <INCHI_KEY>
NWZQCEQAPBRMFX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H18O2/c1-5-8(4)9(10)11-6-7(2)3/h7-8H,5-6H2,1-4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179887

> <ABBREVIATION>
WE 9:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102820

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty esters [FA07]

> <ALT_SUB_CLASSES>
Short fatty esters [FA0710]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
287587

> <CITATION>
11130664

$$$$