LMFA05000071
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0  0  0  0  0  0  0  0999 V2000
    5.7135    5.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4281    6.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1428    5.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8575    6.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5721    5.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    6.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0015    5.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7162    6.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4308    5.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1455    6.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8602    5.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5747    6.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894    5.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0041    6.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7188    5.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4334    6.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1481    5.8237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7188    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0041    7.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 15 18  1  0  0  0  0
  1 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
> <LM_ID>
LMFA05000071

> <COMMON_NAME>
anteiso-1,2-octadecanediol

> <SYSTEMATIC_NAME>
3-methylheptadecane-1,2-diol

> <FORMULA>
C18H38O2

> <MASS>
286.29

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KSEGTNVNTCGYOI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2)18(20)16-19/h17-20H,3-16H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FOH 18:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
22712935

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
120962

> <CITATION>
12189424

$$$$