LMST04010022
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.8994    7.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1153    7.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1153    6.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    5.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6835    6.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676    5.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2518    6.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2518    7.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676    7.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6835    7.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676    8.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2518    8.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0358    8.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0358    7.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6042    7.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6042    8.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8201    8.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0358    9.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6835    7.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8201    9.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0827    9.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4474   10.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0746    9.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7019   10.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.9373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6835    5.6596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7019   10.6939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3291    9.7017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2518    7.9362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4505    6.8578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0358    6.9167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3278    9.2706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8201   10.4741    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
  3 25  1  6  0  0  0
  4 26  1  1  0  0  0
  5 27  1  1  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>
LMST04010022

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3alpha,4beta-dihydroxy-5beta-cholan-24-oic Acid

> <FORMULA>
C24H40O4

> <MASS>
392.29

> <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>
LKUNZSUKADSCME-MZWKDJGJSA-N

> <INCHI>
InChI=1S/C24H40O4/c1-14(4-9-21(26)27)16-7-8-17-15-5-6-19-22(28)20(25)11-13-24(19,3)18(15)10-12-23(16,17)2/h14-20,22,25,28H,4-13H2,1-3H3,(H,26,27)/t14-,15+,16-,17+,18+,19-,20-,22-,23-,24-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
166710

> <ABBREVIATION>
ST 24:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283818

> <LIPIDBANK_ID>
BBA0022

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$