LMFA05000465
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
    9.5249    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5249    7.0606    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
    7.7928    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3910    7.5606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    8.5605    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
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
M  END
> <LM_ID>
LMFA05000465

> <COMMON_NAME>
3-Methylhexan-2-ol

> <SYSTEMATIC_NAME>
3-Methylhexan-2-ol

> <FORMULA>
C7H16O

> <MASS>
116.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IRLSKJITMWPWNY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C7H16O/c1-4-5-6(2)7(3)8/h6-8H,4-5H2,1-3H3

> <SMILES>
CC(O)C(C)CCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179174

> <ABBREVIATION>
FOH 7:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16835

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2045405

> <CITATION>
-

$$$$