LMFA02020208
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0     0  0            999 V2000
    6.6578    8.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6577    6.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6240    7.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6240    8.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3439    9.4384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4462    8.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3745    8.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1965    8.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1247    8.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9467    9.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4462    6.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3745    6.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1965    6.3606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3535    7.7322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6623    4.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1239    4.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6486    5.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0902    6.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5557    7.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0849    7.7309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2057    7.2385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3317    5.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  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
  1  6  2  0  0  0  0
  5  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  0  0  0  0
 19 14  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 18 23  1  1  0  0  0
M  END
> <LM_ID>
LMFA02020208

> <COMMON_NAME>
N-[9,10-Dihydrojasmonoyl]isoleucine

> <SYSTEMATIC_NAME>
[(1R,2R)-3-oxo-2-pentylcyclopentyl]ethanoyl leucine

> <FORMULA>
C18H31NO4

> <MASS>
325.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Jasmonic acids [FA0202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CEONHUOPPCKWAP-CFAJVAMVSA-N

> <INCHI>
InChI=1S/C18H31NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h12-14,17H,4-11H2,1-3H3,(H,19,21)(H,22,23)/t12-,13+,14+,17-/m0/s1

> <SMILES>
C1(=O)[C@H](CCCCC)[C@@H](CC(=O)N[C@H](C(=O)O)[C@@H](C)CC)CC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
25190954

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
5127

> <CITATION>
5465381

$$$$