LMFA03110001
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
    9.1812    9.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    8.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0704    8.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9526    9.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8151    8.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6973    9.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5595    8.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5595    8.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3656    9.2442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2419    7.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0672    7.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8925    7.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7178    7.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5432    7.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3685    7.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1937    7.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0510    7.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8925    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2068    9.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4661    8.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1670    7.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    7.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    8.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9401   10.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    6.4597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 12 18  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 23  1  1  1  0  0  0
 19 24  1  6  0  0  0
 21 25  1  6  0  0  0
 22 10  1  1  0  0  0
M  END
> <LM_ID>
LMFA03110001

> <COMMON_NAME>
8-isoPGF2alpha

> <SYSTEMATIC_NAME>
9S,11R,15S-trihydroxy-5Z,13E-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>
(9S,11R,15S)-15-F2-IsoP[8S,12R]; 15-F2t-IsoP; 8-iso Prostaglandin F2alpha;  15-F1t-dihomo-PhytoP-DGLA

> <INCHI_KEY>
PXGPLTODNUVGFL-NAPLMKITSA-N

> <INCHI>
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18-,19+/m0/s1

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

> <KEGG_ID>
C13809

> <HMDB_ID>
HMDB0005083

> <CHEBI_ID>
34505

> <ABBREVIATION>
FA 20:3;O3

> <CAYMAN_ID>
16350

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282263

> <LIPIDBANK_ID>
XPR1788

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
20671299

$$$$