LMFA04010013
  LIPID_MAPS_STRUCTURE_DATABASE

 27 27  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    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9569    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6299    0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4201    0.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9116   -0.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4201   -1.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6299   -0.7943    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
   -0.3569   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3631   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0831   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8031   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5231   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2431   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5169    1.3406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6336    1.0805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6336   -1.8460    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  1  0  0  0  0
  7  8  2  0  0  0  0
  9  8  1  1  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  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
  6 25  1  6  0  0  0
 10 26  1  1  0  0  0
 12 27  1  1  0  0  0
M  END
> <LM_ID>
LMFA04010013

> <COMMON_NAME>
ent-7-epi-4-F4t-NeuroP

> <SYSTEMATIC_NAME>
(R,E)-6-((1S,2S,3S,5R)-3,5-dihydroxy-2-((2Z,5Z,8Z)-undeca-2,5,8-trien-1-yl)cyclopentyl)-4-hydroxyhex-5-enoic acid

> <FORMULA>
C22H34O5

> <MASS>
378.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Neuroprostanes [FA0401]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(4R,8R,10S)-4-F4-NeuroP[7S,11S]

> <INCHI_KEY>
XAFFULPVQSAGOV-CQTHKADLSA-N

> <INCHI>
InChI=1S/C22H34O5/c1-2-3-4-5-6-7-8-9-10-11-18-19(21(25)16-20(18)24)14-12-17(23)13-15-22(26)27/h3-4,6-7,9-10,12,14,17-21,23-25H,2,5,8,11,13,15-16H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,14-12+/t17-,18-,19-,20-,21+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 22:5;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
131840338

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$