LMFA07010196
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0     0  0            999 V2000
   13.4344    6.8132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5189    7.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2726    7.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1063    6.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2726    8.1136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5966    6.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6739    7.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7513    6.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8286    7.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9059    6.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833    7.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7513    6.0606    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
  8 13  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010196

> <COMMON_NAME>
SFE 8:0(4Me)/2:0

> <SYSTEMATIC_NAME>
4-Methyloctyl acetate

> <FORMULA>
C11H22O2

> <MASS>
186.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
SFE(8:0(4Me)/2:0)

> <INCHI_KEY>
DDCOSYUAKAARCK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C11H22O2/c1-4-5-7-10(2)8-6-9-13-11(3)12/h10H,4-9H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179388

> <ABBREVIATION>
SFE 11:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21932698

> <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>
915460

> <CITATION>
25900246

$$$$