LMFA07040130
  LIPID_MAPS_STRUCTURE_DATABASE

 21 24  0     0  0            999 V2000
    8.3290    8.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375    8.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3341    8.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2113   10.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2371   10.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8419    7.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6852    7.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9226    9.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8472    9.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7160    9.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0022    6.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6548    7.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1786    6.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7292    5.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8540    8.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1643    7.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1812    8.2095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5559    9.7381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5147    9.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4125    9.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4245    7.0315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0     0  0
  3  1  1  0     0  0
  4  5  2  0     0  0
  1  6  1  6     0  0
  6  7  1  0     0  0
  5  8  1  0     0  0
  9  8  1  0     0  0
 10  9  1  0     0  0
  6 11  1  1     0  0
  7 11  1  6     0  0
  7 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 10 15  1  0     0  0
 16 21  2  0     0  0
 12 17  1  6     0  0
  2 18  1  6     0  0
  1 20  1  0     0  0
 20  4  1  1     0  0
 16 17  1  0     0  0
 15 16  1  0     0  0
 19 18  1  6     0  0
 19  2  1  0     0  0
 20 19  1  0     0  0
M  END
> <LM_ID>
LMFA07040130

> <COMMON_NAME>
Cymatherelactone

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H26O3

> <MASS>
290.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FIICQHIPIFWHRY-HFOVYDPPSA-N

> <INCHI>
InChI=1S/C18H26O3/c1-2-15-14-9-12(14)13-10-16-18(21-16)11(13)7-5-3-4-6-8-17(19)20-15/h5,7,11-16,18H,2-4,6,8-10H2,1H3/b7-5-/t11-,12-,13+,14+,15+,16-,18+/m0/s1

> <SMILES>
[C@H]12[C@@H]([C@@H]3[C@@H](O3)C1)C=CCCCCC(O[C@H](CC)[C@@H]1C[C@@H]21)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:5;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56951426

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
309354

> <CITATION>
22071135

$$$$