LMFA02020001
  LIPID_MAPS_STRUCTURE_DATABASE

 15 15  0  0  0  0  0  0  0  0999 V2000
    5.0000    6.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5683    7.2973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4773    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4773    6.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5683    5.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3081    5.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9951    5.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8155    5.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4764    5.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0683    5.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542    7.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9630    7.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9630    6.5058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6733    7.4394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3856    5.2475    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  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4  6  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  5 15  2  0  0  0  0
  3 11  1  6  0  0  0
M  END
> <LM_ID>
LMFA02020001

> <COMMON_NAME>
Jasmonic acid

> <SYSTEMATIC_NAME>
(1R,2R)-3-oxo-2-(pent-2Z-enyl)-cyclopentaneacetic acid

> <FORMULA>
C12H18O3

> <MASS>
210.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Jasmonic acids [FA0202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(-)-Jasmonic acid; (3R,7R)-Jasmonic acid

> <INCHI_KEY>
ZNJFBWYDHIGLCU-HWKXXFMVSA-N

> <INCHI>
InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1

> <SMILES>
C1C(=O)[C@H](C/C=C\CC)[C@@H](CC(O)=O)C1

> <KEGG_ID>
C08491

> <HMDB_ID>
HMDB0032797

> <CHEBI_ID>
18292

> <ABBREVIATION>
FA 12:3;O

> <CAYMAN_ID>
88300

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281166

> <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>
-

$$$$