LMFA02030001
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0     0  0            999 V2000
    3.8322    0.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7039    1.2539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8322   -0.0045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9537    1.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0752    0.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1963    1.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3176    0.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5610    1.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4397    0.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3184    1.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1397    0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1042    0.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7039    0.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1042   -0.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1397   -0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3184   -0.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4397   -0.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5610   -0.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3176   -0.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1963   -0.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3646    1.9435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3646   -1.6283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5610   -1.9435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 11 10  1  0     0  0
 11 15  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 12 21  1  0     0  0
 14 22  1  0     0  0
 18 23  1  0     0  0
M  END
> <LM_ID>
LMFA02030001

> <COMMON_NAME>
16-F1-PhytoP

> <SYSTEMATIC_NAME>
(E)-8-(3,5-dihydroxy-2-(3-hydroxypent-1-en-1-yl)cyclopentyl)octanoic acid

> <FORMULA>
C18H32O5

> <MASS>
328.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Phytoprostanes [FA0203]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RQXBHXSBLSHCPO-ZHACJKMWSA-N

> <INCHI>
InChI=1S/C18H32O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+

> <SMILES>
C(CCCCCCCC1C(O)CC(O)C1/C=C/C(O)CC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
183557

> <ABBREVIATION>
FA 18:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102026575

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$