LMFA07040024
  LIPID_MAPS_STRUCTURE_DATABASE

 14 14  0     0  0            999 V2000
   10.0487   10.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8533   10.5435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6627   10.8396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4722    8.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1675    8.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1688    7.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3934    7.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6181    7.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8428    7.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8351    8.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6020    9.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8848    9.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1688    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  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  2  0  0  0  0
 11 12  1  0  0  0  0
  6 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12  2  1  0  0  0  0
M  END
> <LM_ID>
LMFA07040024

> <COMMON_NAME>
Ferrulactone I

> <SYSTEMATIC_NAME>
4,8-Dimethyl-4E,8E-decadien-10-olide

> <FORMULA>
C12H18O2

> <MASS>
194.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LTKMOZLKRXORCG-HZLOGALDSA-N

> <INCHI>
InChI=1S/C12H18O2/c1-10-4-3-5-11(2)8-9-14-12(13)7-6-10/h4,8H,3,5-7,9H2,1-2H3/b10-4+,11-8+

> <SMILES>
C/C/1=C\CC/C(=C/COC(=O)CC1)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184198

> <ABBREVIATION>
FA 12:3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6440781

> <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]; Branched fatty acids [FA0102]; Carbocyclic fatty acids [FA0114]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
58000

> <CITATION>
24407454

$$$$