LMFA02020008
  LIPID_MAPS_STRUCTURE_DATABASE

 16 16  0  0  0  0  0  0  0  0999 V2000
    7.9018    7.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6950    7.5763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9018    6.5191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1027    7.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3034    7.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5040    7.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0598    6.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4150    6.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3034    6.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1027    5.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9021    6.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7015    6.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5009    5.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3004    6.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.5556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5009    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
  5  4  1  1  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  1  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  5  9  1  0  0  0  0
  8 15  2  0  0  0  0
 13 16  1  0  0  0  0
M  END
> <LM_ID>
LMFA02020008

> <COMMON_NAME>
epi-4'-hydroxyjasmonic acid

> <SYSTEMATIC_NAME>
(1S,2R)-3-oxo-2-(4'-hydroxy-2'Z-pentenyl)-cyclopentaneacetic acid

> <FORMULA>
C12H18O4

> <MASS>
226.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Jasmonic acids [FA0202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KLPBEXRQJBKPDM-VFERKYTESA-N

> <INCHI>
InChI=1S/C12H18O4/c1-8(13)3-2-4-10-9(7-12(15)16)5-6-11(10)14/h2-3,8-10,13H,4-7H2,1H3,(H,15,16)/b3-2-/t8?,9-,10+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165792

> <ABBREVIATION>
FA 12:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061085

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; 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]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Oxo fatty acids [FA0106]; Hydroxy fatty acids [FA0105]; Carbocyclic fatty acids [FA0114]

> <ALT_CLASS_LEVEL4S>
-; -; -; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$