LMST04010019
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.8903    7.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1115    6.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1115    5.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8903    5.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6691    5.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4479    5.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2267    5.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2267    6.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4479    7.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6691    6.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4479    8.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2267    8.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0054    8.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0054    7.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5631    7.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5631    8.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7843    8.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0054    8.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6691    7.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7843    9.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0520    9.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4074    9.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0304    9.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6534    9.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8903    7.9581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6691    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6534   10.2477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2763    9.2622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2267    7.5087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4308    6.4375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0054    6.4961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2887    8.8340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7843   10.0293    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
  1 25  1  6  0  0  0
  3 26  1  6  0  0  0
  5 27  1  1  0  0  0
 24 28  2  0  0  0  0
 24 29  1  0  0  0  0
  8 30  1  1  0  0  0
  9 31  1  6  0  0  0
 14 32  1  6  0  0  0
 17 33  1  6  0  0  0
 20 34  1  1  0  0  0
M  END
> <LM_ID>
LMST04010019

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
1alpha,3alpha-Dihydroxy-5beta-cholan-24-oic Acid

> <FORMULA>
C24H40O4

> <MASS>
392.29

> <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>
BASPEALOGWANGT-SSGJQMIMSA-N

> <INCHI>
InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)13-21(26)24(15,3)20(17)10-11-23(18,19)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17+,18-,19+,20+,21+,23-,24+/m1/s1

> <SMILES>
[C@@H]1(O)[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[C@]2([H])C[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187932

> <ABBREVIATION>
ST 24:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283815

> <LIPIDBANK_ID>
BBA0019

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$