LMFA05000473
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
   11.2568    7.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    7.0605    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
    9.5248    6.0606    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
  6  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  6  0  0  0
M  END
> <LM_ID>
LMFA05000473

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

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

> <FORMULA>
C8H18O

> <MASS>
130.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

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

> <INCHI_KEY>
BKQICAFAUMRYLZ-YUMQZZPRSA-N

> <INCHI>
InChI=1S/C8H18O/c1-4-6-7(3)8(9)5-2/h7-9H,4-6H2,1-3H3/t7-,8-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FOH 8:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6993196

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
160329

> <CITATION>
-

$$$$