LMFA01020094
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0  0  0  0  0  0  0  0999 V2000
   13.5735    5.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2881    5.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0026    5.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7171    5.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4317    5.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7171    6.2376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8591    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447    5.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302    5.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7157    5.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3020    6.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1270    6.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  4  6  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020094

> <COMMON_NAME>
neostearic acid

> <SYSTEMATIC_NAME>
15,15-dimethyl-hexadecanoic acid

> <FORMULA>
C18H36O2

> <MASS>
284.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DYIMLZQLABJBJH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H36O2/c1-18(2,3)16-14-12-10-8-6-4-5-7-9-11-13-15-17(19)20/h4-16H2,1-3H3,(H,19,20)

> <SMILES>
C(CCCCCCCCCCC(C)(C)C)CCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196211

> <ABBREVIATION>
FA 18:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282647

> <LIPIDBANK_ID>
DFA7062

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$