LMFA04000104
  LIPID_MAPS_STRUCTURE_DATABASE

 23 24  0     0  0            999 V2000
    7.4515   -9.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8423   -9.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4998  -10.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404  -10.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404   -9.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4767   -8.9578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2668   -8.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1644  -10.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1052  -10.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1434  -11.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2407   -8.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0842   -9.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9276   -8.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9204   -8.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7802   -9.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6399   -8.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6327   -8.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4925   -9.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3524   -8.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2122   -9.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0718   -8.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9316   -9.3511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0718   -7.8618    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  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  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 21 23  2  0     0  0
M  END
> <LM_ID>
LMFA04000104

> <COMMON_NAME>
Ectocarpin B

> <SYSTEMATIC_NAME>
(5Z,8Z,11Z)-12-{(1'R,2'S,3'S,5'S)-3-[(1''E)-1''-propen-1''-yl]-6'-oxabicyclo[3.1.0]hex-2'-yl}-5,8,11-dodecatrienoic acid

> <FORMULA>
C20H28O3

> <MASS>
316.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Other Docosanoids [FA0400]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UUFIBTWFNNGHMY-QYHMWJMBSA-N

> <INCHI>
InChI=1S/C20H28O3/c1-2-12-16-15-18-20(23-18)17(16)13-10-8-6-4-3-5-7-9-11-14-19(21)22/h2,4-7,10,12-13,16-18,20H,3,8-9,11,14-15H2,1H3,(H,21,22)/b6-4-,7-5-,12-2+,13-10-/t16-,17+,18+,20-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:6;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
168007619

> <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; 2880

> <CITATION>
35835431

$$$$