LMST04010448
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    6.8962    7.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1140    6.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1140    5.8476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8962    5.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6785    5.8476    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4608    5.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2432    6.7509    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4608    7.2025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6785    6.7509    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4608    8.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0253    8.1058    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0253    7.2025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5900    7.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5900    8.1058    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8077    8.5576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0253    8.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6785    7.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8077    9.2802    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0720    9.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4335    9.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0593    9.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6851    9.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2722    8.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6785    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6851   10.2701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3108    9.2802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2432    7.5189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4437    6.4429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0253    6.5017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3143    8.8500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8077   10.0508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2432    5.8476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2432    8.5576    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8202    5.4644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2432    9.3582    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 33  1  0  0  0  0
 33  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
 10 34  1  0  0  0  0
 34 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 18  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  1  9  1  0  0  0  0
  5  9  1  0  0  0  0
  8  9  1  0  0  0  0
  7 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  1  0  0  0
  9 17  1  1  0  0  0
 18 19  1  6  0  0  0
  3 23  1  6  0  0  0
 14 24  1  6  0  0  0
  5 25  1  1  0  0  0
 22 26  2  0  0  0  0
 22 27  1  0  0  0  0
  7 28  1  1  0  0  0
  8 29  1  6  0  0  0
 12 30  1  6  0  0  0
 15 31  1  6  0  0  0
 18 32  1  1  0  0  0
 33 35  1  6  0  0  0
 34 36  1  6  0  0  0
M  END
> <LM_ID>
LMST04010448

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3alpha,7alpha,12alpha,16alpha-tetrahydroxy-5beta-cholan-24-oic Acid

> <FORMULA>
C24H40O6

> <MASS>
424.28

> <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>
BSGVQWDGISQETK-DWVCJCLNSA-N

> <INCHI>
InChI=1S/C24H40O6/c1-12(4-5-20(29)30)22-18(27)10-16-21-15(11-19(28)24(16,22)3)23(2)7-6-14(25)8-13(23)9-17(21)26/h12-19,21-22,25-28H,4-11H2,1-3H3,(H,29,30)/t12-,13+,14-,15+,16+,17-,18-,19+,21-,22+,23+,24-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186796

> <ABBREVIATION>
ST 24:1;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16753447

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$