LMFA01060225
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
   -7.7942    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9282    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0622    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1961    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1961    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3301    1.5000    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  2  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 10 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  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  2  0     0  0
 19 21  1  0     0  0
  5 22  1  6     0  0
M  END
> <LM_ID>
LMFA01060225

> <COMMON_NAME>
Porrigenic acid

> <SYSTEMATIC_NAME>
(S)-(10E,12E)-14- hydroxy-9-oxo-10,12-octadecadienoic acid

> <FORMULA>
C18H30O4

> <MASS>
310.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Oxo fatty acids [FA0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GDCBVHSUEZTUIW-NRJQCZOGSA-N

> <INCHI>
InChI=1S/C18H30O4/c1-2-3-11-16(19)13-9-10-14-17(20)12-7-5-4-6-8-15-18(21)22/h9-10,13-14,16,19H,2-8,11-12,15H2,1H3,(H,21,22)/b13-9+,14-10+/t16-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
66776

> <ABBREVIATION>
FA 18:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
25052836

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Hydroxy fatty acids [FA0105]; Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
71910

> <CITATION>
18057752

$$$$