LMFA03110365
  LIPID_MAPS_STRUCTURE_DATABASE

 26 26  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
   15.9313    7.1542    0.0000 C   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
 17 26  1  0     0  0
M  END
> <LM_ID>
LMFA03110365

> <COMMON_NAME>
C21-15-F2t-IsoP

> <SYSTEMATIC_NAME>
(Z)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxynon-1-enyl]cyclopentyl]hept-5-enoic acid

> <FORMULA>
C21H36O5

> <MASS>
368.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Isoprostanes [FA0311]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DCUNJBXEOMAGOW-UOPBBOGVSA-N

> <INCHI>
InChI=1S/C21H36O5/c1-2-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26/h5,8,13-14,16-20,22-24H,2-4,6-7,9-12,15H2,1H3,(H,25,26)/b8-5-,14-13+/t16-,17-,18+,19-,20+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 21:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178328140

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$