LMFA01050569
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   -0.4309   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4309   -0.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4309    0.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2989   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1673   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0356   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9040   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7725   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6409   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5092   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3776   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2459    0.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1143    0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9827    1.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8511    1.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7195    2.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5878    2.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4520    2.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3197    2.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1840    2.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3230    3.7305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  3  0     0  0
 12 13  1  0     0  0
 13 14  3  0     0  0
 14 15  1  0     0  0
 15 16  3  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 19 21  1  6     0  0
M  END
> <LM_ID>
LMFA01050569

> <COMMON_NAME>
(E)-15,16-dihydrominquartynoic acid

> <SYSTEMATIC_NAME>
17S-hydroxy-15E-octadeca-9,11,13-triynoic acid

> <FORMULA>
C18H22O3

> <MASS>
286.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UQORHUYKZNBNLF-VOGRQWBCSA-N

> <INCHI>
InChI=1S/C18H22O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h13,15,17,19H,4,6,8,10,12,14,16H2,1H3,(H,20,21)/b15-13+/t17-/m0/s1

> <SMILES>
C(CCCCCCCC#CC#CC#C/C=C/[C@@H](O)C)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:7;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10016854

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
397394

> <CITATION>
11430012

$$$$