LMFA12000093
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0  0  0  0  0999 V2000
    9.7585    6.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9657    5.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1726    6.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3794    5.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5863    6.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7931    5.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1726    6.9957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3794    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5863    6.9957    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
  3  8  2  0  0  0  0
  4  9  1  1  0  0  0
  5 10  1  1  0  0  0
M  END
> <LM_ID>
LMFA12000093

> <COMMON_NAME>
5R-Hydroxy-4S-methylheptan-3-one

> <SYSTEMATIC_NAME>
5R-Hydroxy-4S-methylheptan-3-one

> <FORMULA>
C8H16O2

> <MASS>
144.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GEZUGFBWAPDBGZ-NKWVEPMBSA-N

> <INCHI>
InChI=1S/C8H16O2/c1-4-7(9)6(3)8(10)5-2/h6-7,9H,4-5H2,1-3H3/t6-,7+/m0/s1

> <SMILES>
CCC(=O)[C@@H](C)[C@H](O)CC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179954

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
155663

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$