LMST04010256
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    6.9018    7.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1163    6.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1163    5.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9018    5.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6874    5.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4729    5.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2586    5.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2586    6.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4729    7.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6874    6.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4729    8.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2586    8.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0440    8.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0440    7.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6152    7.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6152    8.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8296    8.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0440    8.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6874    7.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8296    9.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0909    9.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4581    9.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0865    9.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7149    9.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8474    5.4244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3576    7.8991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6874    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7149   10.2910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3432    9.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2586    7.5282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4558    6.4478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0440    6.5069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3383    8.8650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8296   10.0708    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
  3 25  1  6  0  0  0
  7 26  1  6  0  0  0
 19 27  1  0  0  0  0
  5 28  1  1  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>
LMST04010256

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3alpha,7alpha,19-Trihydroxy-5beta-cholan-24-oic Acid

> <FORMULA>
C24H40O5

> <MASS>
408.29

> <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>
QLFFNECDRSZZAG-YLWBBORCSA-N

> <INCHI>
InChI=1S/C24H40O5/c1-14(3-6-21(28)29)17-4-5-18-22-19(8-9-23(17,18)2)24(13-25)10-7-16(26)11-15(24)12-20(22)27/h14-20,22,25-27H,3-13H2,1-2H3,(H,28,29)/t14-,15+,16-,17-,18+,19+,20-,22+,23-,24-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 24:1;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284009

> <LIPIDBANK_ID>
BBA0256

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$