LMFA07010824
  LIPID_MAPS_STRUCTURE_DATABASE

 12 12  0  0  0  0            999 V2000
    0.4023    0.4394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4023   -0.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0636   -0.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3432   -0.7997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0858   -0.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0858    0.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7472    0.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4911    0.4394    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
   -1.7472   -0.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7925   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4911   -0.8520    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
M  END
> <LM_ID>
LMFA07010824

> <COMMON_NAME>
Cyclohexyl butanoate

> <SYSTEMATIC_NAME>
cyclohexyl butanoate

> <FORMULA>
C10H18O2

> <MASS>
170.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VZHUBBUZNIULNM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H18O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9H,2-8H2,1H3

> <SMILES>
O=C(OC1CCCCC1)CCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0034427

> <CHEBI_ID>
180203

> <ABBREVIATION>
WE 10:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
243783

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Carbocyclic fatty acids [FA0114]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$