LMFA05000462
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
    7.8578    5.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417    6.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.8310    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7127    6.2406    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0000    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0035    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4324    5.0061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7092    7.0656    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
  3  7  1  6  0  0  0
  4  8  1  6  0  0  0
M  END
> <LM_ID>
LMFA05000462

> <COMMON_NAME>
4S-Methylhexan-3S-ol

> <SYSTEMATIC_NAME>
4S-Methylhexan-3S-ol

> <FORMULA>
C7H16O

> <MASS>
116.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>
 (3S,4S)-4-Methylhexan-3-ol

> <INCHI_KEY>
NZPGYIBESMMUFU-BQBZGAKWSA-N

> <INCHI>
InChI=1S/C7H16O/c1-4-6(3)7(8)5-2/h6-8H,4-5H2,1-3H3/t6-,7-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179173

> <ABBREVIATION>
FOH 7:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
25021898

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$