LMFA07010484
  LIPID_MAPS_STRUCTURE_DATABASE

 27 26  0     0  0            999 V2000
   15.8205    9.0344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8205    8.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6339    7.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6339    6.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8460    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9593    6.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0720    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1848    6.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2975    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4102    6.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5229    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6357    6.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7484    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8611    6.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9738    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9334    7.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0461    8.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1588    7.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2715    8.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3843    7.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4970    8.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6097    7.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7224    8.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8352    7.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9479    8.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8352    7.2404    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
 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
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010484

> <COMMON_NAME>
WE 12:0/12:0(10Me)

> <SYSTEMATIC_NAME>
dodecyl 10-methyl-dodecanoate

> <FORMULA>
C25H50O2

> <MASS>
382.38

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(12:0/12:0(10Me))

> <INCHI_KEY>
BJILWAAYHASFCQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H50O2/c1-4-6-7-8-9-10-11-14-17-20-23-27-25(26)22-19-16-13-12-15-18-21-24(3)5-2/h24H,4-23H2,1-3H3

> <SMILES>
O=C(CCCCCCCCC(C)CC)OCCCCCCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
WE 25:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935974

> <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>
299895

> <CITATION>
11868680

$$$$