LMST04010434
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.5347    7.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7526    7.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7526    6.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5347    5.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3169    6.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991    5.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8814    6.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8814    7.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991    7.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3169    7.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991    8.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8814    8.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6634    8.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6634    7.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2279    7.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2279    8.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4457    8.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6634    9.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3169    7.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4457    9.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7102    9.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0714   10.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6972    9.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3229   10.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5347    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8814    9.6437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.9356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3229   10.6805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9486    9.6907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8814    7.9295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0820    6.8538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6634    6.9126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9522    9.2606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4457   10.4612    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
  4 25  1  0  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>
LMST04010434

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
4,12alpha-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>
SMYHLWIGQGAZHZ-IUYGIBMWSA-N

> <INCHI>
InChI=1S/C24H36O5/c1-13(4-9-21(27)28)15-7-8-16-14-5-6-17-22(29)19(25)10-11-23(17,2)18(14)12-20(26)24(15,16)3/h13-16,18,20,26,29H,4-12H2,1-3H3,(H,27,28)/t13-,14+,15-,16+,18+,20+,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])CCC2=C(O)C(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 24:3;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284175

> <LIPIDBANK_ID>
BBA0718

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$