LMST04030011
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    8.3712    8.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4159    8.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4159    7.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3712    6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3263    7.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2816    6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2369    7.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2369    8.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2816    8.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3263    8.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2816    9.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2369   10.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1920    9.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1920    8.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1026    8.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1026    9.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1473   10.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1920   10.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3263    8.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1473   11.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2491   11.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9115   11.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6757   11.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4398   11.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2039   11.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9682   11.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2039   10.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7659   10.7595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1473   12.2257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3263    6.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.6990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9530    6.5758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5964   11.3092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2369    9.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2608    7.8203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1920    7.8920    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
 26 33  1  0  0  0  0
  8 34  1  1  0  0  0
  9 35  1  6  0  0  0
 14 36  1  6  0  0  0
M  END
> <LM_ID>
LMST04030011

> <COMMON_NAME>
16-Deoxymyxinol

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

> <FORMULA>
C27H48O3

> <MASS>
420.36

> <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>
OQIJRBFRXGIHMI-KZBWLCAVSA-N

> <INCHI>
InChI=1S/C27H48O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h17-25,28-30H,5-16H2,1-4H3/t17?,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)CC[C@@]4([H])[C@]3([H])[C@H](O)C[C@@]2([H])C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
181196

> <ABBREVIATION>
ST 27:0;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284190

> <LIPIDBANK_ID>
BBA0313

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
7764

> <CITATION>
5821731

$$$$