LMFA07040179
  LIPID_MAPS_STRUCTURE_DATABASE

 16 16  0     0  0            999 V2000
   -0.3229    0.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5468    0.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4165    0.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2861    0.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1558    0.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0256    0.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8952    0.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1713    0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1888   -0.4841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1464   -0.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207    0.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1181    0.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4723   -1.7236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7595    0.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0256   -0.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8986    1.9994    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  1  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
  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  8  1  0     0  0
 10 13  2  0     0  0
  8  1  1  0  0  0  0
  7 14  1  0     0  0
  6 15  1  0     0  0
  7 16  2  0     0  0
M  END
> <LM_ID>
LMFA07040179

> <COMMON_NAME>
KH01-A

> <SYSTEMATIC_NAME>
4-hydroxy-11-oxo-10-methyldodecan-4-olide

> <FORMULA>
C13H22O3

> <MASS>
226.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JCBVCOYNLDBRIC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C13H22O3/c1-10(11(2)14)6-4-3-5-7-12-8-9-13(15)16-12/h10,12H,3-9H2,1-2H3

> <SMILES>
C(C1CCC(=O)O1)CCCCC(C)C(=O)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 13:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120410

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1928

> <CITATION>
35123882

$$$$