LMST04010421
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    6.9015    7.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1162    6.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1162    5.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9015    5.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6868    5.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4722    5.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2576    5.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2576    6.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4722    7.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6868    6.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4722    8.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2576    8.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0429    8.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0429    7.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6137    7.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6137    8.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8283    8.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0429    8.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6868    7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8283    9.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0898    9.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4566    9.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0849    9.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7131    9.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8463    5.4244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3369    8.8641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0834    8.6835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6868    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7131   10.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3413    9.2960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2576    7.5277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4550    6.4475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0429    6.5066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8283   10.0696    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
 17 27  1  6  0  0  0
 23 28  1  6  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
 20 35  1  1  0  0  0
M  END
> <LM_ID>
LMST04010421

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(23R)-3alpha,7alpha,17alpha,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>
ALYJFBCWXLPJMU-OURYSSJNSA-N

> <INCHI>
InChI=1S/C24H40O6/c1-13(10-19(27)21(28)29)24(30)9-6-17-20-16(5-8-23(17,24)3)22(2)7-4-15(25)11-14(22)12-18(20)26/h13-20,25-27,30H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16+,17+,18-,19-,20-,22+,23+,24+/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@](O)([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>
184830

> <ABBREVIATION>
ST 24:1;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284164

> <LIPIDBANK_ID>
BBA0705

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$