LMFA05000624
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0  0  0  0            999 V2000
   -2.5017    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7853    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0719    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3568    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0730    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7853    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0730   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3568   -1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5017    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7853    1.2374    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
  6  8  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA05000624

> <COMMON_NAME>
3-(Hydroxymethyl)-2-octanone

> <SYSTEMATIC_NAME>
3-(hydroxymethyl)octan-2-one

> <FORMULA>
C9H18O2

> <MASS>
158.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>
-

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XLFYWCDNLLZTIW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H18O2/c1-3-4-5-6-9(7-10)8(2)11/h9-10H,3-7H2,1-2H3

> <SMILES>
CCCCCC(CO)C(C)=O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037164

> <CHEBI_ID>
179882

> <ABBREVIATION>
FOH 9:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
62148

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$