LMST04010417
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.8922    7.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123    6.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123    5.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8922    5.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6721    5.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4520    5.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2320    5.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2320    6.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4520    7.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6721    6.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4520    8.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2320    8.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0118    8.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0118    7.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5717    7.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5717    8.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7918    8.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0118    8.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6721    7.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7918    9.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0584    9.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4158    9.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0397    9.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6636    9.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8167    5.4231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0118    6.4979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6721    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6636   10.2548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2874    9.2680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2320    7.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4350    6.4392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2969    8.8391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7918   10.0362    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  1  0  0  0
 14 27  1  6  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
 17 33  1  6  0  0  0
 20 34  1  1  0  0  0
M  END
> <LM_ID>
LMST04010417

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3alpha,7beta,14alpha-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>
OGSDYCPNYNWUNN-QGGGRKECSA-N

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

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(O)=O)CC[C@@]4(O)[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>
5284160

> <LIPIDBANK_ID>
BBA0701

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$