Accord  08271317202D

 25 25  0  0  0  0  0  0  0  0999 V2000
   12.0414    7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7997    7.5297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    6.5189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2775    7.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5133    7.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7490    7.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9847    7.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2204    7.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4564    7.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6920    7.0916    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9278    7.4234    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5031    6.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8428    6.0965    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6920    6.3088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4564    5.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2204    6.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9847    5.8841    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7490    6.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5133    5.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2775    6.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0418    5.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8061    6.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6925    8.1266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.4266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9847    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  8  9  1  0  0  0  0
 10  9  1  6  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  2  0  0  0  0
 16 17  1  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
 10 14  1  0  0  0  0
 11 23  1  1  0  0  0
 13 24  1  1  0  0  0
 17 25  1  6  0  0  0
M  END
> <LM_ID>
LMFA03110113

> <COMMON_NAME>
ent-8,15-diepi-15-F2c-IsoP

> <SYSTEMATIC_NAME>
9R,11S,15S-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8R,12R]

> <FORMULA>
C20H34O5

> <MASS>
354.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Isoprostanes [FA0311]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(9R,11S,15S)-15-F2-IsoP[8R,12R]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
40768310

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active (generated by computational methods)

> <REFS>
Free Radical Lipid Peroxidation: Mechanisms and Analysis
Huiyong Yin, Libin Xu and Ned A. Porter
Chem. Rev. 2011, 111, 5944-5972

$$$$