LMFA01050589
  LIPID_MAPS_STRUCTURE_DATABASE

 26 25  0     0  0            999 V2000
   -0.4308   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4308   -0.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4308    0.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2988   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1671   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0354   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9037   -1.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7720   -1.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6403   -2.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5087   -2.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3770   -2.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2453   -2.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1137   -2.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9819   -2.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8502   -2.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7186   -2.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5869   -2.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4552   -2.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3236   -2.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1919   -1.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0602   -1.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9285   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.7968   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6651   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5335   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4552   -3.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  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  3  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  2  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  3  0  0  0  0
 20 21  1  0  0  0  0
 21 22  3  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 18 26  1  6  0  0  0
M  END
> <LM_ID>
LMFA01050589

> <COMMON_NAME>
Carduusyne E

> <SYSTEMATIC_NAME>
16S-Hydroxytricos-8E-en-4,6,17,19-tetraynoic acid

> <FORMULA>
C23H28O3

> <MASS>
352.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QGZIGGVDPDGDRQ-IOUFHMPJSA-N

> <INCHI>
InChI=1S/C23H28O3/c1-2-3-4-13-16-19-22(24)20-17-14-11-9-7-5-6-8-10-12-15-18-21-23(25)26/h5-6,22,24H,2-3,7,9,11,14,17-18,20-21H2,1H3,(H,25,26)/b6-5+/t22-/m1/s1

> <SMILES>
C(CCC#CC#C/C=C/CCCCCC[C@H](O)C#CC#CCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 23:9;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10473216

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1161168

> <CITATION>
-

$$$$