LMFA02000418
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0     0  0            999 V2000
   12.8672    9.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9201    9.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9732    8.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4983    9.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4454    9.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1828    9.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4004    7.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6199    7.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7105    7.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9287    8.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4276    7.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7521    6.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4527    8.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8708    6.8804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0494    5.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7740    9.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1186    8.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0011    8.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2856    7.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3198    7.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0291    8.5892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  5  4  2  0     0  0
  2  6  1  0     0  0
  6  5  1  0     0  0
  3  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  3  1  0     0  0
  3  4  1  1     0  0
  7 11  1  6     0  0
 11 12  1  0     0  0
 11 13  1  1     0  0
 12 15  1  0     0  0
  1 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  1  0     0  0
 20 13  1  0     0  0
 20 14  2  0     0  0
  9 21  1  6     0  0
 10 21  1  6     0  0
M  END
> <LM_ID>
LMFA02000418

> <COMMON_NAME>
Ecklonialactone B

> <SYSTEMATIC_NAME>
(1R,2S,12Z,14S,15R,17S)-2-ethyl-3,16-dioxatricyclo[12.4.0.015,17]octadeca-12-en-4-one

> <FORMULA>
C18H28O3

> <MASS>
292.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LGEIXYGSQMJMKE-RLHIQTTISA-N

> <INCHI>
InChI=1S/C18H28O3/c1-2-15-14-12-16-18(21-16)13(14)10-8-6-4-3-5-7-9-11-17(19)20-15/h8,10,13-16,18H,2-7,9,11-12H2,1H3/b10-8-/t13-,14+,15-,16-,18+/m0/s1

> <SMILES>
C1CCCCC(=O)O[C@@H](CC)[C@@H]2C[C@@H]3O[C@@H]3[C@H]2C=CCC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:5;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
23428256

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6395

> <CITATION>
14575430

$$$$