LMFA01030453
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   20.9755    7.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8460    7.0658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9755    8.3736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0984    7.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2210    7.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3437    7.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4663    7.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5890    7.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7116    6.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8342    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9569    6.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0794    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2021    6.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3246    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4474    6.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5701    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6926    6.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8153    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9378    6.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  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  3  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
 15 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
M  END
> <LM_ID>
LMFA01030453

> <COMMON_NAME>
Tariric acid

> <SYSTEMATIC_NAME>
6-octadecynoic acid

> <FORMULA>
C18H32O2

> <MASS>
280.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
6-Octadecynoic acid; 6,7-Stearolic acid; 6-Stearolic acid

> <INCHI_KEY>
GVZXZHWIIXHZOB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-11,14-17H2,1H3,(H,19,20)

> <SMILES>
C(CCCCC#CCCCCCCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
38362

> <ABBREVIATION>
FA 18:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
235711

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Octadecanoids [FA02]

> <ALT_SUB_CLASSES>


> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
85238

> <CITATION>
-

$$$$