LMFA02010006
  LIPID_MAPS_STRUCTURE_DATABASE

 21 21  0  0  0  0  0  0  0  0999 V2000
   12.3689    6.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1272    7.1795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3689    6.1687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6049    7.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8405    6.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0762    7.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3119    6.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5476    7.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7833    6.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0189    7.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2546    6.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4903    7.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    6.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4053    5.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2546    5.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0189    5.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7833    5.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5476    5.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3119    5.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0762    5.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  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
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 11 15  1  0  0  0  0
 14 21  2  0  0  0  0
M  END
> <LM_ID>
LMFA02010006

> <COMMON_NAME>
(9R,13R)-10,11-dihydro-12-oxo-15-phytoenoic acid

> <SYSTEMATIC_NAME>
(1R,2R)-3-oxo-2-(2'Z-pentenyl)-cyclopentaneoctanoic acid

> <FORMULA>
C18H30O3

> <MASS>
294.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
12-oxophytodienoic acid metabolites [FA0201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BZXZFDKIRZBJEP-GTOOTHNYSA-N

> <INCHI>
InChI=1S/C18H30O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,15-16H,2,4-6,8-14H2,1H3,(H,20,21)/b7-3-/t15-,16-/m1/s1

> <SMILES>
C(CCCCCCC[C@H]1[C@@H](C/C=C\CC)C(=O)CC1)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
49265

> <ABBREVIATION>
FA 18:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5716902

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Oxo fatty acids [FA0106]; Carbocyclic fatty acids [FA0114]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$