LMFA02020013
  LIPID_MAPS_STRUCTURE_DATABASE

 15 15  0  0  0  0  0  0  0  0999 V2000
    6.5959    6.4677    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5924    5.6496    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8191    6.7152    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4242    7.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8294    5.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2971    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3447    6.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.5091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1255    6.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9983    5.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9298    6.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6994    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6275    7.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3218    6.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9943    6.3581    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
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  5  7  1  0  0  0  0
 10 15  2  0  0  0  0
M  END
> <LM_ID>
LMFA02020013

> <COMMON_NAME>
(+)-cucurbic acid

> <SYSTEMATIC_NAME>
{(1R,2S,3S)-3-hydroxy-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid

> <FORMULA>
C12H20O3

> <MASS>
212.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Jasmonic acids [FA0202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(3R,6S,7S)-cucurbic acid

> <INCHI_KEY>
LYSGIJUGUGJIPS-UOMVISFLSA-N

> <INCHI>
InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+,11+/m1/s1

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

> <KEGG_ID>
C08482

> <HMDB_ID>
-

> <CHEBI_ID>
18446

> <ABBREVIATION>
FA 12:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281159

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

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$