LMFA04020004
  LIPID_MAPS_STRUCTURE_DATABASE

 28 28  0     0  0            999 V2000
    0.8309    1.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7662    0.6310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8309    2.0361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1112    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0539    1.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9965    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9392    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8818    1.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8243    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7670    0.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7670   -0.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8242   -0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8815   -1.2591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9392   -0.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9965   -1.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0539   -0.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1112   -1.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8313   -0.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7739   -0.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7166   -1.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6592   -0.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6019   -0.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5444   -1.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4870   -0.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3137   -0.1175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4870    0.5823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8815   -2.0361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0539    0.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  9  8  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  1  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
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
  9 25  1  0     0  0
 25 12  1  0     0  0
 10 26  1  0     0  0
 13 27  1  0     0  0
 16 28  1  0     0  0
M  END
> <LM_ID>
LMFA04020004

> <COMMON_NAME>
delta12-7-NeuroF

> <SYSTEMATIC_NAME>
(Z)-6-(5-((2E,6Z,9Z)-1,4-dihydroxydodeca-2,6,9-trien-1-yl)-3-hydroxytetrahydrofuran-2-yl)hex-4-enoic acid

> <FORMULA>
C22H34O6

> <MASS>
394.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Neurofurans [FA0402]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZWXRVTMFLFOBGU-YOQRWUOZSA-N

> <INCHI>
InChI=1S/C22H34O6/c1-2-3-4-5-6-8-11-17(23)14-15-18(24)21-16-19(25)20(28-21)12-9-7-10-13-22(26)27/h3-4,6-9,14-15,17-21,23-25H,2,5,10-13,16H2,1H3,(H,26,27)/b4-3-,8-6-,9-7-,15-14+

> <SMILES>
C(CC/C=C\CC1OC(C(O)/C=C/C(O)C/C=C\C/C=C\CC)CC1O)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 22:5;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44188999

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$