LMFA07040034
  LIPID_MAPS_STRUCTURE_DATABASE

 14 14  0     0  0            999 V2000
    8.6586    9.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5246    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5246    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    9.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5246    9.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    9.8607    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  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
 11 12  1  6  0  0  0
  1 13  2  0  0  0  0
  1 14  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
> <LM_ID>
LMFA07040034

> <COMMON_NAME>
S-Cucujolide II

> <SYSTEMATIC_NAME>
3Z-Dodecen-11S-olide

> <FORMULA>
C12H20O2

> <MASS>
196.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Ferrulactone  II

> <INCHI_KEY>
IIBFPGGSICFOHJ-JYKYSHPRSA-N

> <INCHI>
InChI=1S/C12H20O2/c1-11-9-7-5-3-2-4-6-8-10-12(13)14-11/h6,8,11H,2-5,7,9-10H2,1H3/b8-6-/t11-/m0/s1

> <SMILES>
C1(O[C@@H](C)CCCCCCC=CC1)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
195915

> <ABBREVIATION>
FA 12:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6440782

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Carbocyclic fatty acids [FA0114]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
58000

> <CITATION>
24407454

$$$$