LMFA05000069
  LIPID_MAPS_STRUCTURE_DATABASE

 19 18  0  0  0  0  0  0  0  0999 V2000
    5.0000    5.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7146    6.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4291    5.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1437    6.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8581    5.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5727    6.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2873    5.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0017    6.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7163    5.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4309    6.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1454    5.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8599    6.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5744    5.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2890    6.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0035    5.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7180    6.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4314    5.7153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4160    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5909    5.0000    0.0000 O   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
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
> <LM_ID>
LMFA05000069

> <COMMON_NAME>
iso-1,2-heptadecanediol

> <SYSTEMATIC_NAME>
2-methylhexadecane-1,2-diol

> <FORMULA>
C17H36O2

> <MASS>
272.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BGKYMSPWHCZNLU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2,19)16-18/h18-19H,3-16H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FOH 17:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607316

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
120962

> <CITATION>
12189424

$$$$