LMFA07010197
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0  0  0  0  0  0  0  0999 V2000
   13.2724    6.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3770    6.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0921    6.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9074    6.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0921    7.3324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4750    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5726    6.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7678    6.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8654    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9631    6.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  2  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
 11 12  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010197

> <COMMON_NAME>
SFE 8:0/2:0

> <SYSTEMATIC_NAME>
Octyl acetate

> <FORMULA>
C10H20O2

> <MASS>
172.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YLYBTZIQSIBWLI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3

> <SMILES>
O(C(=O)C)CCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038602

> <CHEBI_ID>
87495

> <ABBREVIATION>
SFE 10:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
8164

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
444401; 10044

> <CITATION>
11504028

$$$$