LMFA05000537
  LIPID_MAPS_STRUCTURE_DATABASE

  7  6  0  0  0  0  0  0  0  0999 V2000
    7.1359    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8478    5.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7119    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4239    5.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8425    5.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8909    6.1086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
> <LM_ID>
LMFA05000537

> <COMMON_NAME>
3-methyl-3-Pentanol

> <SYSTEMATIC_NAME>
3-methyl-3-Pentanol

> <FORMULA>
C6H14O

> <MASS>
102.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FRDAATYAJDYRNW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FOH 6:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6493

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1180

> <CITATION>
10596980

$$$$