LMFA07010420
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0     0  0            999 V2000
   11.3233    9.0148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3233    8.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1313    7.5755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1313    6.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3485    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4678    6.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5863    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7049    6.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8234    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9421    6.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4421    7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5606    8.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6792    7.7375    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
  4  5  1  0  0  0  0
  5  6  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
 10 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010420

> <COMMON_NAME>
SFE 8:0/4:0

> <SYSTEMATIC_NAME>
octyl butyrate

> <FORMULA>
C12H24O2

> <MASS>
200.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(8:0/4:0)

> <INCHI_KEY>
PWLNAUNEAKQYLH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C12H24O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h3-11H2,1-2H3

> <SMILES>
O=C(CCC)OCCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0034136

> <CHEBI_ID>
89726

> <ABBREVIATION>
SFE 12:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
61030

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1431430

> <CITATION>
-

$$$$