LMFA07010485
  LIPID_MAPS_STRUCTURE_DATABASE

 18 17  0     0  0            999 V2000
   16.6904    8.6628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6904    7.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5762    7.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5762    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7242    7.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7578    7.8307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7915    7.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8252    7.8307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8588    7.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8924    7.8307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9261    7.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9598    7.8307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9934    7.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0270    7.8307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7242    6.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8588    6.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9934    6.7089    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
  2  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  5 16  1  0  0  0  0
  9 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010485

> <COMMON_NAME>
SFE 1:0/12:0(2Me,6Me,10Me)

> <SYSTEMATIC_NAME>
Methyl 2,6,10-trimethyl-dodecanoate

> <FORMULA>
C16H32O2

> <MASS>
256.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(1:0/12:0(2Me,6Me,10Me))

> <INCHI_KEY>
CYGVOXJONVUXQO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H32O2/c1-6-13(2)9-7-10-14(3)11-8-12-15(4)16(17)18-5/h13-15H,6-12H2,1-5H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179735

> <ABBREVIATION>
SFE 16:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11459540

> <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>
1513910

> <CITATION>
-

$$$$