LMFA05000089
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0  0  0  0  0999 V2000
    8.5724    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7158    5.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    5.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2868    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0  0  0  0
  9  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  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
  9 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA05000089

> <COMMON_NAME>
octane-1,2-diol

> <SYSTEMATIC_NAME>
octane-1,2-diol

> <FORMULA>
C8H18O2

> <MASS>
146.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>
1,2-Dihydroxyoctane; 1,2-Octanediol; 1,2-octylene glycol

> <INCHI_KEY>
AEIJTFQOBWATKX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3

> <SMILES>
C(CCCCC)C(O)CO

> <KEGG_ID>
C14273

> <HMDB_ID>
-

> <CHEBI_ID>
34056

> <ABBREVIATION>
FOH 8:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14231

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$