LMST04030012
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0  0  0  0  0  0  0  0999 V2000
    6.9133    7.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1211    6.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1211    5.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9133    5.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7055    5.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4978    5.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2901    5.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2901    6.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4978    7.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7055    6.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4978    8.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2901    8.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0822    8.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0822    7.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667    7.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667    8.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8745    8.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0822    8.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7055    7.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8745    9.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1295    9.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5083    9.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1421    9.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7759    9.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4095    9.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0434    9.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4095    8.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3876    8.8958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8745   10.1118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7055    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8839    5.4259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2901    9.2838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0448    8.8526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5644    9.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2901    7.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4805    6.4581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0822    6.5176    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
 12 33  1  6  0  0  0
 25 34  1  0  0  0  0
 26 35  1  0  0  0  0
  8 36  1  1  0  0  0
  9 37  1  6  0  0  0
 14 38  1  6  0  0  0
M  END
> <LM_ID>
LMST04030012

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5alpha-Cholestane-3beta,7alpha,12alpha,25,26-pentol

> <FORMULA>
C27H48O5

> <MASS>
452.35

> <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>
XZDHXPDYLPEFQI-CGNNBXCQSA-N

> <INCHI>
InChI=1S/C27H48O5/c1-16(6-5-10-25(2,32)15-28)19-7-8-20-24-21(14-23(31)27(19,20)4)26(3)11-9-18(29)12-17(26)13-22(24)30/h16-24,28-32H,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])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(O)(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>
190382

> <ABBREVIATION>
ST 27:0;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284191

> <LIPIDBANK_ID>
BBA0314

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$