LMFA09000026
  LIPID_MAPS_STRUCTURE_DATABASE

 19 18  0     0  0            999 V2000
   -0.3411    4.1856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3393    4.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3376    4.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8397    3.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8381    3.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3402    2.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3385    2.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3369    2.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3353    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3336    2.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3321    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3304    2.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3288    2.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8309    1.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8292    1.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3314    0.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3576    0.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8817   -0.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2813   -0.7722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  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  3  0  0  0  0
  8  9  1  0  0  0  0
  9 10  3  0  0  0  0
 10 11  1  0  0  0  0
 11 12  3  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
 15 16  1  0  0  0  0
  3  4  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0     0  0
 18 19  3  0     0  0
M  END
> <LM_ID>
LMFA09000026

> <COMMON_NAME>
Albanitrile B

> <SYSTEMATIC_NAME>
Heptadeca-6,8,10-triynedinitrile

> <FORMULA>
C17H18N2

> <MASS>
250.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty nitriles [FA09]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OTZPKLCQLBLPKM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H18N2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h6,8-15H2

> <SMILES>
N#CCCCCC#CC#CC#CCCCCCC#N

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
155545995

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2622847

> <CITATION>
31833368

$$$$