LMST04030029
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.9051    7.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1177    6.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1177    5.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9051    5.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6926    5.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4800    5.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2676    5.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2676    6.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4800    7.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6926    6.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4800    8.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2676    8.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0549    8.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0549    7.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6300    7.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6300    8.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8425    8.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0549    8.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6926    7.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8425    9.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1020    9.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4725    9.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1024    9.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7324    9.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3623    9.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9923    9.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3623    8.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3525    8.8739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8425   10.0825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2676    9.2595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9938    8.8309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6926    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8579    5.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2676    7.5338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4629    6.4508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0549    6.5100    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
  3 30  1  6  0  0  0
 12 31  1  6  0  0  0
 25 32  1  0  0  0  0
  5 33  1  1  0  0  0
  7 34  2  0  0  0  0
  8 35  1  1  0  0  0
  9 36  1  6  0  0  0
 14 37  1  6  0  0  0
M  END
> <LM_ID>
LMST04030029

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3alpha,12alpha,25-Trihydroxy-5beta-cholestan-7-one

> <FORMULA>
C27H46O4

> <MASS>
434.34

> <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>
CEGKKENOGCRSLA-CPOXXCQMSA-N

> <INCHI>
InChI=1S/C27H46O4/c1-16(7-6-11-25(2,3)31)19-8-9-20-24-21(15-23(30)27(19,20)5)26(4)12-10-18(28)13-17(26)14-22(24)29/h16-21,23-24,28,30-31H,6-15H2,1-5H3/t16-,17+,18-,19-,20+,21+,23+,24+,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)C)CC[C@@]4([H])[C@]3([H])C(=O)C[C@]2([H])C[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
166743

> <ABBREVIATION>
ST 27:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284204

> <LIPIDBANK_ID>
BBA0337

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$