LMFA07010919
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0  0  0  0            999 V2000
    2.1569    1.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4368    1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4216    0.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7290    1.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0076    1.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6988    1.8553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0061    0.6075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7277    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7277   -0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4423   -1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4423   -1.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1569   -0.6184    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  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
 10 12  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010919

> <COMMON_NAME>
Isopentyl isopentanoate

> <SYSTEMATIC_NAME>
3-methylbutyl 3-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>
XINCECQTMHSORG-UHFFFAOYSA-N

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

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

> <KEGG_ID>
C12289

> <HMDB_ID>
HMDB0030029

> <CHEBI_ID>
31727

> <ABBREVIATION>
WE 10:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12613

> <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>
-

$$$$