LMST04030010
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
    8.3726    8.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4164    8.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4164    7.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3726    6.5419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3287    7.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2848    6.5419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2412    7.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2412    8.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2848    8.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3287    8.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2848    9.8541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2412   10.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1970    9.8541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1970    8.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1095    8.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1095    9.8541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1534   10.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1970   10.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3287    8.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1534   11.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542   11.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9182   11.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6831   11.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4480   11.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2128   11.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9779   11.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2128   10.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7725   10.7637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1534   12.2312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3287    6.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.6992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9579    6.5758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9433   10.3356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6066   11.3139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2412    9.1366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2639    7.8215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1970    7.8934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  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
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 20 21  1  6  0  0  0
 17 28  1  6  0  0  0
 20 29  1  1  0  0  0
  5 30  1  6  0  0  0
  3 31  1  1  0  0  0
  7 32  1  6  0  0  0
 16 33  1  6  0  0  0
 26 34  1  0  0  0  0
  8 35  1  1  0  0  0
  9 36  1  6  0  0  0
 14 37  1  6  0  0  0
M  END
> <LM_ID>
LMST04030010

> <COMMON_NAME>
Myxinol

> <SYSTEMATIC_NAME>
5alpha-Cholestane-3beta,7alpha,16alpha,26-tetrol

> <FORMULA>
C27H48O4

> <MASS>
436.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C27 bile acids, alcohols, and derivatives [ST0403]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NHNHDZACHWAKJW-NSPSUJRFSA-N

> <INCHI>
InChI=1S/C27H48O4/c1-16(15-28)6-5-7-17(2)25-23(31)14-21-24-20(9-11-27(21,25)4)26(3)10-8-19(29)12-18(26)13-22(24)30/h16-25,28-31H,5-15H2,1-4H3/t16?,17-,18-,19+,20+,21+,22-,23-,24-,25+,26+,27+/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C)CO)[C@H](O)C[C@@]4([H])[C@]3([H])[C@H](O)C[C@@]2([H])C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:0;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284189

> <LIPIDBANK_ID>
BBA0312

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
7769

> <CITATION>
5965252

$$$$