LMFA05000486
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0     0  0            999 V2000
   12.1229    7.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2569    7.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3909    7.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    7.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    7.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    8.8608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3909    6.3606    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
  7  8  1  0  0  0  0
  4  9  1  6  0  0  0
  3 10  1  6  0  0  0
M  END
> <LM_ID>
LMFA05000486

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

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

> <FORMULA>
C9H20O

> <MASS>
144.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

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

> <INCHI_KEY>
MJOKZMZDONULOD-IUCAKERBSA-N

> <INCHI>
InChI=1S/C9H20O/c1-4-6-7-9(10)8(3)5-2/h8-10H,4-7H2,1-3H3/t8-,9-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178393

> <ABBREVIATION>
FOH 9:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11789333

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
206503

> <CITATION>
-

$$$$