LMFA05000079
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0  0  0  0  0  0  0  0999 V2000
    8.5698    5.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2846    6.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9992    5.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7139    6.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4286    5.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1433    6.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8580    5.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5727    6.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2874    5.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0021    6.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7168    5.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4315    6.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1461    5.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8609    6.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5756    5.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2902    6.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0049    5.8238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5756    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8563    6.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417    5.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4270    6.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7134    5.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2357    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
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <LM_ID>
LMFA05000079

> <COMMON_NAME>
1,2-heneicosanediol

> <SYSTEMATIC_NAME>
heneicosane-1,2-diol

> <FORMULA>
C21H44O2

> <MASS>
328.33

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ITFHSQPJHPCIPS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20-22/h21-23H,2-20H2,1H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FOH 21:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
22456580

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
120962

> <CITATION>
12189424

$$$$