LMFA01050574
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   -0.4338   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4338   -0.7513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4338    0.7513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3078   -0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1822   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0565   -0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9310   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8053   -0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6797   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5541   -0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4284   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3028   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1772   -0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0515   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9260    0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8004    0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6748    0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5492    0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4236    0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2979    0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1823    0.7495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1773   -1.7513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8003    1.7513    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  2  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  3  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
  5 21  1  0     0  0
 13 22  1  0     0  0
 16 23  1  0     0  0
M  END
> <LM_ID>
LMFA01050574

> <COMMON_NAME>
Gallicynoic acid E

> <SYSTEMATIC_NAME>
3,11,14-trihydroxy-octadeca-9-en-12-ynoic acid

> <FORMULA>
C18H30O5

> <MASS>
326.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IRDUBXGVWQSMKQ-YFHOEESVSA-N

> <INCHI>
InChI=1S/C18H30O5/c1-2-3-9-15(19)12-13-16(20)10-7-5-4-6-8-11-17(21)14-18(22)23/h7,10,15-17,19-21H,2-6,8-9,11,14H2,1H3,(H,22,23)/b10-7-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24800366

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
76126

> <CITATION>
18247526

$$$$