LMPK09000005
  LIPID_MAPS_STRUCTURE_DATABASE

 12 13  0     0  0            999 V2000
    8.5606    8.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5605    8.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0605    7.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5605    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5606    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0606    7.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5606    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5606    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5606    8.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5606    8.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0605    7.2267    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  1  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
  3 12  1  6  0  0  0
M  END
> <LM_ID>
LMPK09000005

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(3R,6S)-3-Hydroxy-1,7-dioxaspiro[5.5]undecane

> <FORMULA>
C9H16O3

> <MASS>
172.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Polyether antibiotics [PK09]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PSXHJXYOZUWYQY-BDAKNGLRSA-N

> <INCHI>
InChI=1S/C9H16O3/c10-8-3-5-9(12-7-8)4-1-2-6-11-9/h8,10H,1-7H2/t8-,9+/m1/s1

> <SMILES>
O1[C@@]2(CCCCO2)CC[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179512

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13160035

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
104688

> <CITATION>
-

$$$$