LMFA07040187
  LIPID_MAPS_STRUCTURE_DATABASE

 17 17  0     0  0            999 V2000
   10.2407   -3.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3420   -3.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4811   -4.7797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4659   -4.9534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9354   -4.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9043   -5.8522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4590   -3.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6110   -3.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7280   -3.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8800   -3.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9970   -3.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1490   -3.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2660   -3.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4180   -4.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8561   -4.6779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5754   -4.7899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2311   -2.5019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  1  2  0     0  0
  4  6  2  0     0  0
  2  7  1  1     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 12 15  1  0     0  0
 12 16  1  0     0  0
 13 17  2  0     0  0
M  END
> <LM_ID>
LMFA07040187

> <COMMON_NAME>
Mycenolide A

> <SYSTEMATIC_NAME>
(4s)-10-Hydroxy-10-methyl-11-oxo-dodec-2-en-1,4-olide

> <FORMULA>
C13H20O4

> <MASS>
240.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CIXUOGLICKUHDS-AMGKYWFPSA-N

> <INCHI>
InChI=1S/C13H20O4/c1-10(14)13(2,16)9-5-3-4-6-11-7-8-12(15)17-11/h7-8,11,16H,3-6,9H2,1-2H3/t11-,13?/m0/s1

> <SMILES>
C1=CC(=O)O[C@H]1CCCCCC(O)(C)C(=O)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 13:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
154926171

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1282933

> <CITATION>
30964338

$$$$