LMST04030091
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0  0  0  0  0  0  0  0999 V2000
    6.9216    7.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1245    6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1245    5.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9216    5.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7186    5.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5157    5.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3128    5.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3128    6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5157    7.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7186    6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5157    8.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3128    8.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1098    8.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1098    7.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7040    7.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7040    8.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9069    8.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1098    8.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7186    7.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9069    9.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1574    9.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5446    9.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1822    9.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8199    9.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4574    9.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0951    9.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4574    8.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4231    8.9180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9069   10.1414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7186    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9103    5.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3128    9.3084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5446   10.3188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6193    9.3767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3128    7.5617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4983    6.4654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1098    6.5253    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  1  0  0  0
  3 31  1  6  0  0  0
  7 32  1  6  0  0  0
 12 33  1  6  0  0  0
 22 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>
LMST04030091

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5beta-Cholestane-3alpha,7alpha,12alpha,22,26-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>
DNMOMLRFWQIHJP-ANCCEJGHSA-N

> <INCHI>
InChI=1S/C27H48O5/c1-15(14-28)5-8-22(30)16(2)19-6-7-20-25-21(13-24(32)27(19,20)4)26(3)10-9-18(29)11-17(26)12-23(25)31/h15-25,28-32H,5-14H2,1-4H3/t15?,16-,17-,18+,19+,20-,21-,22?,23+,24-,25-,26-,27+/m0/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)C(O)CCC(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>
-

> <ABBREVIATION>
ST 27:0;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284254

> <LIPIDBANK_ID>
BBA0417

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$