LMFA03110348
  LIPID_MAPS_STRUCTURE_DATABASE

 37 38  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
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    7.1670    7.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7327    6.4597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.7926    6.6903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0081    9.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2584    8.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5458    7.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7962    6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1495    6.0164    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
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 31  9  1  1     0  0
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M  END
> <LM_ID>
LMFA03110348

> <COMMON_NAME>
8-isoPGF2alpha glucuronide

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

> <FORMULA>
C26H42O11

> <MASS>
530.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Isoprostanes [FA0311]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
8-iso Prostaglandin F2alpha glucuronide

> <INCHI_KEY>
WCZHHEUDTSWXLR-CKBSYWFFSA-N

> <INCHI>
InChI=1S/C26H42O11/c1-2-3-6-9-15(27)12-13-17-16(18(28)14-19(17)29)10-7-4-5-8-11-20(30)36-26-23(33)21(31)22(32)24(37-26)25(34)35/h4,7,12-13,15-19,21-24,26-29,31-33H,2-3,5-6,8-11,14H2,1H3,(H,34,35)/b7-4-,13-12+/t15-,16-,17+,18-,19+,21-,22-,23+,24-,26+/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[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O1)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
38211441

$$$$