LMFA03110011
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
   14.0425    9.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9135    8.7365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0425   10.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1653    8.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2875    9.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4098    8.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5320    9.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6543    8.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7766    9.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9561    8.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9928    8.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3937    8.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9928    7.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9561    7.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7766    7.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6543    7.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5320    7.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4098    7.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2875    7.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1653    7.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0429    7.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9207    7.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5320   10.1295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3606    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  2  0  0  0  0
 10  9  1  1  0  0  0
 10 14  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  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7 23  1  4  0  0  0
 11 24  1  6  0  0  0
 13 25  1  6  0  0  0
M  END
> <LM_ID>
LMFA03110011

> <COMMON_NAME>
(+/-) 5-iPF2alpha-VI

> <SYSTEMATIC_NAME>
5,9S,11R-trihydroxy-6E,14Z-prostadienoic acid-cyclo[8S,12R]

> <FORMULA>
C20H34O5

> <MASS>
354.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Isoprostanes [FA0311]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Isoprostane F2alpha-I; iPF2alpha-I; 5-iso-PGF2a VI; 5(R,S)-5-F2t-IsoP

> <INCHI_KEY>
RZCPXIZGLPAGEV-SUHLLOIRSA-N

> <INCHI>
InChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15?,16-,17+,18-,19+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
140933

> <ABBREVIATION>
FA 20:3;O3

> <CAYMAN_ID>
16300

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607309

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
20671299

$$$$