LMST04030113
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    6.5424    7.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7557    6.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7557    5.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5424    5.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3290    5.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1156    5.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9023    5.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9023    6.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1156    7.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3290    6.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1156    8.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9023    8.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6888    8.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6888    7.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2622    7.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2622    8.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4755    8.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6888    8.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3290    7.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4755    9.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7358    9.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1048    9.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    9.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3634    9.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9926    9.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6220    9.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9926    8.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9850    8.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4755   10.0774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4920    5.4246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9023    9.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3290    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.5261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9023    7.5314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0984    6.4495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6888    6.5086    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
  7 30  1  6  0  0  0
 12 31  1  6  0  0  0
  5 32  1  1  0  0  0
  3 33  2  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>
LMST04030113

> <COMMON_NAME>


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

> <FORMULA>
C27H46O3

> <MASS>
418.34

> <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>
HHVQPBXBALLUDF-QORHGLQKSA-N

> <INCHI>
InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18+,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(C)C)CC[C@@]4([H])[C@]3([H])[C@H](O)C[C@]2([H])CC(=O)C1

> <KEGG_ID>
C05453

> <HMDB_ID>
HMDB06886

> <CHEBI_ID>
2288

> <ABBREVIATION>
ST 27:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000485675

> <PUBCHEM_COMPOUND_ID>
5284271

> <LIPIDBANK_ID>
BBA0439

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$