LMFA02030082
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0     0  0            999 V2000
    9.8122   -9.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6950  -10.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5431   -9.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4260   -9.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2741   -9.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1570   -9.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0051   -9.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8880   -9.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9229  -10.8418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7361   -9.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9641  -10.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8596  -11.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8814  -11.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3814  -10.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0506   -9.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6027  -11.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4856  -11.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3337  -11.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2166  -11.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0647  -11.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2988  -12.8077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8427   -8.6994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  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  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  1 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 11  1  0     0  0
 12 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
 18 21  2  0     0  0
 15 22  2  0     0  0
M  END
> <LM_ID>
LMFA02030082

> <COMMON_NAME>
16-keto-16-B1-PhytoP

> <SYSTEMATIC_NAME>
(E)-8-(5-oxo-2-(3-oxopent-1-en-1-yl)cyclopent-1-en-1-yl)octanoic acid

> <FORMULA>
C18H26O4

> <MASS>
306.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Phytoprostanes [FA0203]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KPWZUIKRIDBRAR-ZRDIBKRKSA-N

> <INCHI>
InChI=1S/C18H26O4/c1-2-15(19)12-10-14-11-13-17(20)16(14)8-6-4-3-5-7-9-18(21)22/h10,12H,2-9,11,13H2,1H3,(H,21,22)/b12-10+

> <SMILES>
C(C1C(=O)CCC=1/C=C/C(=O)CC)CCCCCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:5;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$