LMFA07010823
  LIPID_MAPS_STRUCTURE_DATABASE

 13 13  0  0  0  0            999 V2000
    0.4022    0.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4022   -0.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0637   -0.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3430   -0.7996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0856   -0.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0856    0.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7471    0.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4911    0.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4911   -0.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7471   -0.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7926   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4911   -0.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8228    0.4118    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
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  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
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010823

> <COMMON_NAME>
Cyclohexyl 3-methylbutanoate

> <SYSTEMATIC_NAME>
cyclohexyl 3-methylbutanoate

> <FORMULA>
C11H20O2

> <MASS>
184.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SQPOKBBCNZIWFI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C11H20O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3

> <SMILES>
O=C(OC1CCCCC1)CC(C)C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0034428

> <CHEBI_ID>
171833

> <ABBREVIATION>
WE 11:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
287439

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]; Carbocyclic fatty acids [FA0114]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$