LMFA05000568
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
   14.7391   -5.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8706   -6.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0017   -5.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328   -6.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2639   -5.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3950   -6.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5261   -5.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6573   -6.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0017   -4.5698    0.0000 O   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
  3  9  1  0     0  0
M  END
> <LM_ID>
LMFA05000568

> <COMMON_NAME>
3-Octanol

> <SYSTEMATIC_NAME>
octan-3-ol

> <FORMULA>
C8H18O

> <MASS>
130.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NMRPBPVERJPACX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3

> <SMILES>
CCC(O)CCCCC

> <KEGG_ID>
C17144

> <HMDB_ID>
HMDB0030070

> <CHEBI_ID>
80945

> <ABBREVIATION>
FOH 8:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11527

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$