LMFA05000623
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0            999 V2000
   -2.1444    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4296    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7148    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7148    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4297    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4296    1.2389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7148   -0.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310   -1.2389    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
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  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
  9 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA05000623

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

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

> <FORMULA>
C8H16O2

> <MASS>
144.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>
-

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MHOXVRWQBOAOAU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H16O2/c1-3-4-5-8(6-9)7(2)10/h8-9H,3-6H2,1-2H3

> <SMILES>
CC(=O)C(CO)CCCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0036165

> <CHEBI_ID>
179943

> <ABBREVIATION>
FOH 8:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5362561

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$