LMST04030100
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.5508    7.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7592    6.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7592    5.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5508    5.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3423    5.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1338    5.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9254    5.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9254    6.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1338    7.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3423    6.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1338    8.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9254    8.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7168    8.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7168    7.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3000    7.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3000    8.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5084    8.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7168    8.8480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3423    7.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5084    9.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7641    9.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417    9.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7749    9.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4081    9.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0412    9.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6745    9.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0412    8.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0210    8.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5084   10.1075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5187    5.4257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9254    9.2802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1950    9.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3423    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.5279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9254    7.5456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1165    6.4570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7168    6.5165    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
 26 32  1  0  0  0  0
  5 33  1  1  0  0  0
  3 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>
LMST04030100

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7alpha,12alpha,26-Trihydroxy-5beta-cholestan-3-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>
UCVRZTRGVBWBPR-SSGCBCEYSA-N

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
48834

> <ABBREVIATION>
ST 27:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
196065

> <LIPIDBANK_ID>
BBA0426

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$