LMST04070027
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    6.9012    7.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1160    6.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1160    5.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9012    5.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6865    5.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4716    5.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2569    5.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2569    6.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4716    7.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6865    6.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4716    8.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2569    8.5699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0419    8.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0419    7.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6125    7.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6125    8.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8274    8.5699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0419    8.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6865    7.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8274    9.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0889    9.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4555    9.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0835    9.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7117    9.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3398    9.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3358    8.8635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8274   10.0687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6865    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8456    5.4244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2569    9.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2569    7.5274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4544    6.4473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0419    6.5063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7117   10.2289    0.0000 O   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
  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 26  1  6  0  0  0
 20 27  1  1  0  0  0
  5 28  1  1  0  0  0
  3 29  1  6  0  0  0
  7 30  1  6  0  0  0
 12 31  1  6  0  0  0
  8 32  1  1  0  0  0
  9 33  1  6  0  0  0
 14 34  1  6  0  0  0
 24 35  2  0  0  0  0
M  END
> <LM_ID>
LMST04070027

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
26,27-dinor-3alpha,6alpha,12alpha-trihydroxy-5beta-cholestan-24-one

> <FORMULA>
C25H42O4

> <MASS>
406.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C25 bile acids, alcohols, and derivatives [ST0407]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XZKHOQXQDMYABL-BCWNTCASSA-N

> <INCHI>
InChI=1S/C25H42O4/c1-14(5-6-15(2)26)18-7-8-19-23-20(13-22(29)25(18,19)4)24(3)10-9-17(27)11-16(24)12-21(23)28/h14,16-23,27-29H,5-13H2,1-4H3/t14-,16+,17-,18-,19+,20+,21-,22+,23+,24+,25-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(=O)C)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>
156154

> <ABBREVIATION>
ST 25:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547707

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$