LMST04010172
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    6.9073    7.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1212    7.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1212    6.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9073    5.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6934    6.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4795    5.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2657    6.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2657    7.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4795    7.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6934    7.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4795    8.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2657    9.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0517    8.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0517    7.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6240    7.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6240    8.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8379    9.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0517    9.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6934    7.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8379    9.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0987    9.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4668   10.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0956    9.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7245   10.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.6459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5589    5.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4795    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6934    5.6841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7245   10.7311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3533    9.7364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2657    7.9664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4623    6.8853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0517    6.9443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3469    9.3041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8379   10.5107    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
  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
  2 25  1  1  0  0  0
  3 26  1  1  0  0  0
  6 27  2  0  0  0  0
  5 28  1  6  0  0  0
 24 29  2  0  0  0  0
 24 30  1  0  0  0  0
  8 31  1  1  0  0  0
  9 32  1  6  0  0  0
 14 33  1  6  0  0  0
 17 34  1  6  0  0  0
 20 35  1  1  0  0  0
M  END
> <LM_ID>
LMST04010172

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2beta,3beta-Dihydroxy-6-oxo-5alpha-cholan-24-oic Acid

> <FORMULA>
C24H38O5

> <MASS>
406.27

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C24 bile acids, alcohols, and derivatives [ST0401]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JHRTZPAZZAJUCF-UKQTYHSRSA-N

> <INCHI>
InChI=1S/C24H38O5/c1-13(4-7-22(28)29)15-5-6-16-14-10-19(25)18-11-20(26)21(27)12-24(18,3)17(14)8-9-23(15,16)2/h13-18,20-21,26-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16+,17+,18-,20-,21+,23-,24-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(O)=O)CC[C@@]4([H])[C@]3([H])CC(=O)[C@@]2([H])C[C@@H](O)[C@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
188424

> <ABBREVIATION>
ST 24:2;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283942

> <LIPIDBANK_ID>
BBA0172

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$