LMFA02020012
  LIPID_MAPS_STRUCTURE_DATABASE

 16 16  0  0  0  0  0  0  0  0999 V2000
    5.5121    7.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0267    6.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2976    7.0751    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0128    7.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7281    8.7268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0128    8.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2976    8.7268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2976    6.2492    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0128    5.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7281    6.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4433    5.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8738    5.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1585    6.2492    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1585    7.0751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5121    5.9940    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  1  0  0  0  0
  2 15  1  0  0  0  0
 15  8  1  0  0  0  0
  8  3  1  0  0  0  0
  3  4  1  6  0  0  0
  4  6  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
> <LM_ID>
LMFA02020012

> <COMMON_NAME>
(-)-11-hydroxy-9,10-dihydrojasmonic acid

> <SYSTEMATIC_NAME>
[(1R,2R)-2-(4-hydroxypentyl)-3-oxocyclopentyl]acetic acid

> <FORMULA>
C12H20O4

> <MASS>
228.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Jasmonic acids [FA0202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZJPORBFEYXKGKA-VXRWAFEHSA-N

> <INCHI>
InChI=1S/C12H20O4/c1-8(13)3-2-4-10-9(7-12(15)16)5-6-11(10)14/h8-10,13H,2-7H2,1H3,(H,15,16)/t8?,9-,10-/m1/s1

> <SMILES>
C1[C@H](CC(O)=O)[C@@H](CCCC(O)C)C(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
38152

> <ABBREVIATION>
FA 12:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11966225

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

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$