LMFA04010407
  LIPID_MAPS_STRUCTURE_DATABASE

 26 26  0  0  0  0  0  0  0  0999 V2000
   -0.3572    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.5156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.5156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0769    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7969    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5169    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2369    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9569    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6769    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3969    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1169    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7899    0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5801    0.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0716   -0.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5801   -1.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7899   -0.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1169   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3969   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6769   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9569   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2369   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5169   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7969   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0769   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6769    1.3406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7936    1.0805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 11  1  6  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  9 25  1  1  0  0  0
 13 26  2  0  0  0  0
M  END
> <LM_ID>
LMFA04010407

> <COMMON_NAME>
7-A4-NeuroP

> <SYSTEMATIC_NAME>
(S,4Z,8E)-7-hydroxy-9-((1R,2R)-2-((2Z,5Z)-octa-2,5-dien-1-yl)-5-oxocyclopent-3-en-1-yl)nona-4,8-dienoic acid

> <FORMULA>
C22H30O4

> <MASS>
358.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Neuroprostanes [FA0401]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(7S)-7-A4-NeuroP[10R,14R]

> <INCHI_KEY>
SLNXHGURYZJBEC-LMHLXWGASA-N

> <INCHI>
InChI=1S/C22H30O4/c1-2-3-4-5-6-8-11-18-14-17-21(24)20(18)16-15-19(23)12-9-7-10-13-22(25)26/h3-4,6-9,14-20,23H,2,5,10-13H2,1H3,(H,25,26)/b4-3-,8-6-,9-7-,16-15+/t18-,19+,20-/m1/s1

> <SMILES>
C(CC/C=C\C[C@H](O)/C=C/[C@H]1C(=O)C=C[C@H]1C/C=C\C/C=C\CC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 22:7;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
131840726

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$