LMST04010359
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.8917    7.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1121    6.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1121    5.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917    5.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6713    5.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4509    5.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2306    5.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2306    6.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4509    7.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6713    6.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4509    8.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2306    8.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0101    8.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0101    7.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5694    7.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5694    8.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7898    8.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0101    8.7939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6713    7.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7898    9.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0567    9.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4135    9.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0372    9.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6609    9.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2306    9.2195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6713    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6609   10.2529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2845    9.2664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4339    6.4388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0101    6.4974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2947    8.8377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7898   10.0344    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  2  0  0  0  0
  5 27  1  1  0  0  0
 24 28  2  0  0  0  0
 24 29  1  0  0  0  0
  9 30  1  6  0  0  0
 14 31  1  6  0  0  0
 17 32  1  6  0  0  0
 20 33  1  1  0  0  0
M  END
> <LM_ID>
LMST04010359

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3alpha-Hydroxy-12-oxo-5beta-chol-7-en-24-oic Acid

> <FORMULA>
C24H36O4

> <MASS>
388.26

> <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>
GZXGLMDNDFEOIV-LBBDGDLTSA-N

> <INCHI>
InChI=1S/C24H36O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h6,14-16,18-20,25H,4-5,7-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,19+,20+,23+,24-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC(=O)[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(O)=O)CC[C@@]4([H])C3=CC[C@]2([H])C[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178717

> <ABBREVIATION>
ST 24:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284104

> <LIPIDBANK_ID>
BBA0643

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$