LMST04010018
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    5.7764    7.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7764    5.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5529    5.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3293    5.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1058    5.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1058    6.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3293    7.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5529    6.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3293    8.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1058    8.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8822    8.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8822    7.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4351    7.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4351    8.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6587    8.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8822    8.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5529    7.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6587    9.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9286    9.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2798    9.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9010    9.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5221    9.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1058    9.2033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5529    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5221   10.2325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1432    9.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1058    7.5018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3123    6.4339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8822    6.4923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1615    8.8231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6587   10.0149    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
 12 25  1  1  0  0  0
  5 26  1  6  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
  8 29  1  1  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>
LMST04010018

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
12beta-Hydroxy-5alpha-cholan-24-oic Acid

> <FORMULA>
C24H40O3

> <MASS>
376.30

> <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>
OBUOWZOYJNAMCZ-CRUIVANASA-N

> <INCHI>
InChI=1S/C24H40O3/c1-15(7-12-22(26)27)18-10-11-19-17-9-8-16-6-4-5-13-23(16,2)20(17)14-21(25)24(18,19)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17+,18-,19+,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])CC[C@@]2([H])CCC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 24:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283814

> <LIPIDBANK_ID>
BBA0018

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$