LMFA02030078
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0     0  0            999 V2000
   -5.8086   -0.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7029   -0.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5792   -0.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6852   -1.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6771   -1.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1841   -1.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5055   -0.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7164    0.6380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0895   -2.9120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9317   -2.4532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0813   -1.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2539   -1.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4541   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6267   -1.8891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9444   -0.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0766   -0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2123   -0.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3446   -0.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4803   -0.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -0.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2518   -0.2474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6091   -1.7504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9478    0.7346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  1     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  3  1  0     0  0
  7  8  1  6     0  0
  5  9  1  6     0  0
  4 10  1  1     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
  1 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 20 22  2  0     0  0
 15 23  1  1     0  0
M  END
> <LM_ID>
LMFA02030078

> <COMMON_NAME>
6-F2t-PhytoP-SDA

> <SYSTEMATIC_NAME>
8-((1S,2S,3R,5R)-3,5-dihydroxy-2-(pent-2Z-en-1-yl)cyclopentyl)-6S-hydroxy-7E-octenoic acid

> <FORMULA>
C18H30O5

> <MASS>
326.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Phytoprostanes [FA0203]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PXIILOMORTWZJX-QHFXNTHNSA-N

> <INCHI>
InChI=1S/C18H30O5/c1-2-3-4-8-14-15(17(21)12-16(14)20)11-10-13(19)7-5-6-9-18(22)23/h3-4,10-11,13-17,19-21H,2,5-9,12H2,1H3,(H,22,23)/b4-3-,11-10+/t13-,14+,15-,16+,17-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$