LMST04010271
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.5337    7.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7521    7.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7521    6.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5337    5.8298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3153    6.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0969    5.8298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8785    6.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8785    7.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0969    7.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3153    7.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0969    8.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8785    8.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6600    8.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6600    7.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2233    7.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2233    8.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4417    8.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6600    9.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3153    7.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4417    9.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7067    9.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0670   10.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6922    9.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3175   10.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0969    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8785    9.6636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.9584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3175   10.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9426    9.7106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8785    7.9508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0798    6.8758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6600    6.9346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9478    9.2808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4417   10.4805    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  2  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
  6 25  1  1  0  0  0
 12 26  1  6  0  0  0
  3 27  2  0  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>
LMST04010271

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
6beta,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid

> <FORMULA>
C24H36O5

> <MASS>
404.26

> <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>
NPSKJGGJEGVABO-PVWAIWJUSA-N

> <INCHI>
InChI=1S/C24H36O5/c1-13(4-7-22(28)29)16-5-6-17-15-11-20(26)19-10-14(25)8-9-23(19,2)18(15)12-21(27)24(16,17)3/h10,13,15-18,20-21,26-27H,4-9,11-12H2,1-3H3,(H,28,29)/t13-,15+,16-,17+,18+,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)CCC(O)=O)CC[C@@]4([H])[C@]3([H])C[C@@H](O)C2=CC(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186631

> <ABBREVIATION>
ST 24:3;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284024

> <LIPIDBANK_ID>
BBA0271

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$