LMFA02000392
  LIPID_MAPS_STRUCTURE_DATABASE

 21 22  0     0  0            999 V2000
    7.5007   -4.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9120   -5.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5742   -5.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5218   -5.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5218   -4.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5688   -4.2133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3541   -4.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2509   -6.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1986   -5.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2443   -6.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3350   -4.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1846   -4.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0342   -4.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8837   -4.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7332   -4.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5829   -4.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4323   -4.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2819   -4.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1315   -4.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9810   -4.5999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1315   -3.1284    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  1  1  0     0  0
  1  6  1  6     0  0
  2  6  1  6     0  0
  5  7  1  1     0  0
  4  8  1  6     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
  7 11  2  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 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
 19 21  2  0     0  0
M  END
> <LM_ID>
LMFA02000392

> <COMMON_NAME>
Ectocarpin A

> <SYSTEMATIC_NAME>
(9Z)-10-{(1'R,2'S,3'S,5'S)-3-[(1''E)-prop-1''-en-1''-yl]-6'-oxabicyclo[3.1.0]hex-2'-yl}dec-9-enoic acid

> <FORMULA>
C18H28O3

> <MASS>
292.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IWYBFCQYGWQGDW-DEQZJPLVSA-N

> <INCHI>
InChI=1S/C18H28O3/c1-2-10-14-13-16-18(21-16)15(14)11-8-6-4-3-5-7-9-12-17(19)20/h2,8,10-11,14-16,18H,3-7,9,12-13H2,1H3,(H,19,20)/b10-2+,11-8-/t14-,15+,16+,18-/m1/s1

> <SMILES>
[C@H]12O[C@H]1C[C@@H](/C=C/C)[C@@H]2/C=C\CCCCCCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:4;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
168007573

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Carbocyclic fatty acids [FA0114]; Unsaturated fatty acids [FA0103]; Epoxy fatty acids [FA0107]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
2880

> <CITATION>
35835431

$$$$