LMST04010261
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    6.9077    7.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1187    6.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1187    5.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9077    5.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6966    5.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    5.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2746    5.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2746    6.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    7.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6966    6.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    8.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2746    8.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0634    8.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0634    7.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6414    7.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6414    8.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525    8.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0634    8.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6966    7.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525    9.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1106    9.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4836    9.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1148    9.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7459    9.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660    5.4252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2746    9.2671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1134    8.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6966    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7459   10.3128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3770    9.3145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2746    7.5381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4683    6.4530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0634    6.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3634    8.8807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525   10.0917    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
 12 27  1  6  0  0  0
 23 28  1  1  0  0  0
  5 29  1  1  0  0  0
 24 30  2  0  0  0  0
 24 31  1  0  0  0  0
  8 32  1  1  0  0  0
  9 33  1  6  0  0  0
 14 34  1  6  0  0  0
 17 35  1  6  0  0  0
 20 36  1  1  0  0  0
M  END
> <LM_ID>
LMST04010261

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(23S)-3alpha,7alpha,12alpha,23-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>
UJYLRDMHTJWIQW-NITPNRFESA-N

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

> <SMILES>
C1[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)C[C@H](O)C(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>
184806

> <ABBREVIATION>
ST 24:1;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284014

> <LIPIDBANK_ID>
BBA0261

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$