LMFA09000011
  LIPID_MAPS_STRUCTURE_DATABASE

 15 14  0     0  0            999 V2000
   -0.4307   -0.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2307    0.1540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2985   -0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1666   -0.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0348   -0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9029   -0.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7711   -0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6393   -0.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5074   -0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3755   -0.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2437   -0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1119   -0.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9799   -0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8481   -0.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9799   -1.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  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
 13 15  1  0     0  0
M  END
> <LM_ID>
LMFA09000011

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
12-methyl-3E-tridecenenitrile

> <FORMULA>
C14H25N

> <MASS>
207.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty nitriles [FA09]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RKWOPJGPDIRMKB-VQHVLOKHSA-N

> <INCHI>
InChI=1S/C14H25N/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h7,9,14H,3-6,8,10-12H2,1-2H3/b9-7+

> <SMILES>
C(C/C=C/CCCCCCCC(C)C)#N

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
139591507

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1877

> <CITATION>
28276609

$$$$