LMST04010405
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.9025    7.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1166    7.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1166    6.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9025    5.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6884    6.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4742    5.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2603    6.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2603    7.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4742    7.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6884    7.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4742    8.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2603    9.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0460    8.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0460    7.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6179    7.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6179    8.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8320    9.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0460    9.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6884    7.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8320    9.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0930    9.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4608   10.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0895    9.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7182   10.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.9623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2603    9.6880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4742    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6884    5.6839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7182   10.7297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3468    9.7353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4571    6.8848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0460    6.9439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3410    9.3031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8320   10.5094    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  2  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
 12 26  1  6  0  0  0
  6 27  2  0  0  0  0
  5 28  1  1  0  0  0
 24 29  2  0  0  0  0
 24 30  1  0  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>
LMST04010405

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3alpha,12alpha-Dihydroxy-6-oxo-5beta-chol-7-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>
GDUPOKRLCLDOHZ-XWMSBXEFSA-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/h11,13-14,16-19,21,25,27H,4-10,12H2,1-3H3,(H,28,29)/t13-,14-,16-,17+,18+,19+,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])C3=CC(=O)[C@]2([H])C[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193288

> <ABBREVIATION>
ST 24:3;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284149

> <LIPIDBANK_ID>
BBA0689

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$