LMFA05000461
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
   13.2035   -7.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3356   -6.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4716   -7.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6035   -6.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7396   -7.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4758   -8.1453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5992   -5.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8714   -6.6564    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
  3  6  1  1  0  0  0
  4  7  1  6  0  0  0
  5  8  1  0     0  0
M  END
> <LM_ID>
LMFA05000461

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

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

> <FORMULA>
C7H16O

> <MASS>
116.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

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

> <INCHI_KEY>
NZPGYIBESMMUFU-NKWVEPMBSA-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>
179172

> <ABBREVIATION>
FOH 7:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10931417

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
30205

> <CITATION>
-

$$$$