LMFA05000487
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0  0  0  0  0999 V2000
   11.2570    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2570    7.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3909    7.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5250    7.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6588    7.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    7.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5250    6.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6588    8.5606    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
  5 10  1  6  0  0  0
M  END
> <LM_ID>
LMFA05000487

> <COMMON_NAME>
4S,5S-cruentol

> <SYSTEMATIC_NAME>
5S-Methyloctan-4S-ol

> <FORMULA>
C9H20O

> <MASS>
144.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>
(4S,5S)-5-Methyloctan-4-ol

> <INCHI_KEY>
YLTHHPQUTLMNIF-IUCAKERBSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178395

> <ABBREVIATION>
FOH 9:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11029963

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
166899

> <CITATION>
24241839

$$$$