LMPK09000031
  LIPID_MAPS_STRUCTURE_DATABASE

 14 15  0  0  0  0  0  0  0  0999 V2000
    9.5247    8.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    7.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    8.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    9.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    8.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    8.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1227    7.5606    0.0000 C   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
  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
  1  6  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 13 14  1  0  0  0  0
  2 13  1  0  0  0  0
M  END
> <LM_ID>
LMPK09000031

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2-Ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane

> <FORMULA>
C12H22O2

> <MASS>
198.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Polyether antibiotics [PK09]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ICQGEBLJYVWKBA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C12H22O2/c1-3-11-7-5-9-12(14-11)8-4-6-10(2)13-12/h10-11H,3-9H2,1-2H3

> <SMILES>
O1C2(CCCC(C)O2)CCCC1CC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179195

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14271012

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
43391

> <CITATION>
-

$$$$