LMST04030118
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    6.9077    7.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1188    6.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1188    5.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9077    5.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6966    5.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    5.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2746    5.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2746    6.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    7.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6966    6.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    8.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2746    8.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0635    8.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0635    7.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6415    7.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6415    8.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525    8.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0635    8.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6966    7.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525    9.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1106    9.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4837    9.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1148    9.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7460    9.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3771    9.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0083    9.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3771    8.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3634    8.8807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525   10.0917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6966    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7446   10.2025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0098    8.8377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2746    7.5381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4684    6.4531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0635    6.5124    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
 24 32  1  0  0  0  0
 25 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>
LMST04030118

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5beta-Cholestane-3alpha,24,25-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>
DEZLYZBLMUAYLV-AYFKJPLJSA-N

> <INCHI>
InChI=1S/C27H48O3/c1-17(6-11-24(29)25(2,3)30)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h17-24,28-30H,6-16H2,1-5H3/t17-,18-,19-,20+,21-,22+,23+,24?,26+,27-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187046

> <ABBREVIATION>
ST 27:0;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284275

> <LIPIDBANK_ID>
BBA0444

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$