LMFA02030020
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  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
   -4.6769    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3969    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0699    0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8601    0.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3516   -0.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8601   -1.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0699   -0.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3969   -1.2792    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   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0736    1.0805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0736   -1.8460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9569   -2.1042    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  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 12 21  1  6  0  0  0
 14 22  1  6  0  0  0
 18 23  1  1  0  0  0
M  END
> <LM_ID>
LMFA02030020

> <COMMON_NAME>
16-epi-16-F1t-PhytoP

> <SYSTEMATIC_NAME>
8-((1S,2R,3R,5S)-3,5-dihydroxy-2-((R,E)-3-hydroxypent-1-en-1-yl)cyclopentyl)octanoic acid

> <FORMULA>
C18H32O5

> <MASS>
328.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Phytoprostanes [FA0203]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(10S,12R,16R)-16-F1-PhytoP[9S,13R]

> <INCHI_KEY>
RQXBHXSBLSHCPO-ZRMZGJFNSA-N

> <INCHI>
InChI=1S/C18H32O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
131839823

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$