LMFA02020011
  LIPID_MAPS_STRUCTURE_DATABASE

 16 16  0  0  0  0  0  0  0  0999 V2000
    6.9840    5.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6984    6.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234    6.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2380    5.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9840    7.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9839    8.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2694    8.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6983    8.7743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2695    7.1242    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4849    7.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2695    6.2992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4849    6.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2713    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9525    6.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6670    5.8869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  5  1  6  0  0  0
 12  1  1  1  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
 13 14  2  0  0  0  0
 13 12  1  0  0  0  0
 12  9  1  0  0  0  0
 10  9  1  0  0  0  0
 11 13  1  0  0  0  0
 10 11  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <LM_ID>
LMFA02020011

> <COMMON_NAME>
12-hydroxyjasmonic acid

> <SYSTEMATIC_NAME>
{(1R,2R)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetic acid

> <FORMULA>
C12H18O4

> <MASS>
226.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Jasmonic acids [FA0202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(-)-12-hydroxyjasmonic acid;(1R,2R)-12-hydroxyjasmonic acid

> <INCHI_KEY>
RZGFUGXQKMEMOO-BSANDHCLSA-N

> <INCHI>
InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)/b2-1-/t9-,10-/m1/s1

> <SMILES>
C(/C=C\CCO)[C@@H]1[C@H](CCC1=O)CC(O)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
37420

> <ABBREVIATION>
FA 12:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5497122

> <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>
-

$$$$