LMFA01031131
  LIPID_MAPS_STRUCTURE_DATABASE

 24 24  0     0  0            999 V2000
   12.7262   -3.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4386   -2.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8537   -2.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1144   -1.8815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9348   -1.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1413   -3.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4289   -2.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7165   -3.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7090   -3.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9964   -2.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2840   -3.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2765   -3.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5641   -2.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8517   -3.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8442   -3.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1318   -2.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4194   -3.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4119   -3.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6995   -2.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0129   -3.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0204   -3.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7328   -2.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4452   -3.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1956   -0.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  3  4  1  1     0  0
  2  5  1  0     0  0
  5  4  1  0     0  0
  3  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  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  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
 20 21  2  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
  5 24  2  0     0  0
M  END
> <LM_ID>
LMFA01031131

> <COMMON_NAME>
Zooxanthellactone

> <SYSTEMATIC_NAME>
(S)-5-((1E,3Z,6Z,12Z,15Z)octadeca-1,3,6,9,12,15-hexaen-1-yl)dihydrofuran-2-(3)-one

> <FORMULA>
C22H30O2

> <MASS>
326.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WCLSJZFZJIIXNP-HBUOOPIGSA-N

> <INCHI>
InChI=1S/C22H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-22(23)24-21/h3-4,6-7,9-10,12-13,15-18,21H,2,5,8,11,14,19-20H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,18-17+/t21-/m1/s1

> <SMILES>
C1[C@@H](/C=C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 22:7

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21777807

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2950

> <CITATION>
15118313

$$$$