LMFA01050577
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   -3.0607   -0.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9364   -0.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8119   -0.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6876   -0.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5632   -0.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4387   -0.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3143   -0.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1899   -0.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0654   -0.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9411    0.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8167    0.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6922    0.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5678    0.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4434    0.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3189    0.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1900   -1.7537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8166    1.7537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1953   -0.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3263   -0.7463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1987    0.7527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  3  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
  8 16  1  0     0  0
 11 17  1  0     0  0
  1 18  1  0     0  0
 18 19  1  0     0  0
 18 20  2  0     0  0
M  END
> <LM_ID>
LMFA01050577

> <COMMON_NAME>
Gallicynoic acid C

> <SYSTEMATIC_NAME>
9,12-dihydroxyhexadeca-7Z-en-10-ynoic acid

> <FORMULA>
C16H26O4

> <MASS>
282.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IJBTXFFPFVNDAG-YFHOEESVSA-N

> <INCHI>
InChI=1S/C16H26O4/c1-2-3-9-14(17)12-13-15(18)10-7-5-4-6-8-11-16(19)20/h7,10,14-15,17-18H,2-6,8-9,11H2,1H3,(H,19,20)/b10-7-

> <SMILES>
C(C(=O)O)CCCC/C=C\C(O)C#CC(O)CCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 16:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120242

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
76126

> <CITATION>
18247526

$$$$