LMFA05000081
  LIPID_MAPS_STRUCTURE_DATABASE

 24 23  0  0  0  0  0  0  0  0999 V2000
    9.2834    5.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9983    6.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7132    5.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4278    6.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1426    5.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8573    6.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5721    5.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2868    6.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0015    5.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7163    6.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4309    5.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1458    6.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8605    5.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5753    6.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2900    5.8238    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.0047    6.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7195    5.8238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2900    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5700    6.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8552    5.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1405    6.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4270    5.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7135    6.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8238    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
 23 24  1  0  0  0  0
M  END
> <LM_ID>
LMFA05000081

> <COMMON_NAME>
1,2-docasanediol

> <SYSTEMATIC_NAME>
docosane-1,2-diol

> <FORMULA>
C22H46O2

> <MASS>
342.35

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DSTFRDBEOMKTOS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24)21-23/h22-24H,2-21H2,1H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
84958

> <ABBREVIATION>
FOH 22:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
108500

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
120962

> <CITATION>
12189424

$$$$