LMFA07040131
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0     0  0            999 V2000
    9.8998   -1.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7657   -2.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7657   -3.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8998   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0338   -3.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0338   -2.3971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8998   -0.8972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1678   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1678   -4.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0850   -5.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5850   -4.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -3.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9371   -5.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8750   -5.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6443   -5.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5822   -5.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4515   -5.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2626   -6.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1900   -5.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9776   -6.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9050   -5.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8378   -7.3366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6926   -6.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0850   -5.0996    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  1     0  0
  6  1  1  0     0  0
  1  7  2  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12  8  1  0     0  0
  9 13  1  1     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
 18 19  2  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 20 22  1  6     0  0
 21 23  1  0     0  0
 11 24  1  6     0  0
 10 24  1  6     0  0
  8  5  1  6     0  0
M  END
> <LM_ID>
LMFA07040131

> <COMMON_NAME>
Agardhilactone

> <SYSTEMATIC_NAME>
6S-{(1R,2R,3S,5S)-2-[8S-Hydroxy-1E,4Z,6E-decatrien-1-yl]-6-oxabicyclo[3.1.0]hex-3-yl}tetrahydro-2H-pyran-2-one

> <FORMULA>
C20H28O4

> <MASS>
332.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YFHYWHWBWQBXAP-OLMCNAGDSA-N

> <INCHI>
InChI=1S/C20H28O4/c1-2-14(21)9-6-4-3-5-7-10-15-16(13-18-20(15)24-18)17-11-8-12-19(22)23-17/h3-4,6-7,9-10,14-18,20-21H,2,5,8,11-13H2,1H3/b4-3-,9-6+,10-7+/t14-,15+,16-,17-,18+,20-/m0/s1

> <SMILES>
C1(=O)O[C@H]([C@H]2C[C@H]3O[C@H]3[C@@H]2/C=C/C/C=C\C=C\[C@@H](O)CC)CCC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:6;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178328594

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
31443

> <CITATION>
-

$$$$