LMFA07040122
  LIPID_MAPS_STRUCTURE_DATABASE

 15 15  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
    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
    9.5246    6.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    6.3608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  1     0  0
  1 12  2  0     0  0
  1 13  1  0     0  0
 10 13  1  0     0  0
  3 14  1  0     0  0
 14 15  1  1     0  0
 14  4  1  0     0  0
M  END
> <LM_ID>
LMFA07040122

> <COMMON_NAME>
Patulolide C

> <SYSTEMATIC_NAME>
4S-hydroxy-2E-dodecen-11R-olide

> <FORMULA>
C12H20O3

> <MASS>
212.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KANOICQRSIXTJU-OJLMFNQTSA-N

> <INCHI>
InChI=1S/C12H20O3/c1-10-6-4-2-3-5-7-11(13)8-9-12(14)15-10/h8-11,13H,2-7H2,1H3/b9-8+/t10-,11+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 12:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10398271

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
29844

> <CITATION>
3733512

$$$$