LMST04030212
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    6.8996    7.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1154    6.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1154    5.8491    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8996    5.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6839    5.8491    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4681    5.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2525    5.8491    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2525    6.7546    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4681    7.2074    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6839    6.7546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4681    8.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2525    8.5659    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0366    8.1129    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0366    7.2074    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6052    7.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6052    8.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8210    8.5659    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0366    8.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6839    7.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8210    9.2902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0835    9.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4484    9.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7031    9.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8404    5.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2525    9.2430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6839    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7031   10.2827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3305    9.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2525    7.5245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4510    6.4458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0366    6.5047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3289    8.8591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8210   10.0629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0758    9.2902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0758    8.4877    0.0000 O   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 35  1  0  0  0  0
 35 23  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 24  1  6  0  0  0
  7 25  1  6  0  0  0
 12 26  1  6  0  0  0
  5 27  1  6  0  0  0
 23 28  2  0  0  0  0
 23 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
 35 36  1  6  0  0  0
M  END
> <LM_ID>
LMST04030212

> <COMMON_NAME>
3alpha,7alpha,12alpha,23R-tetrahydroxy-5beta-cholan-24-oic acid

> <SYSTEMATIC_NAME>
3alpha,7alpha,12alpha,23R-tetrahydroxy-5beta-cholan-24-oic acid

> <FORMULA>
C24H40O6

> <MASS>
424.28

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C27 bile acids, alcohols, and derivatives [ST0403]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UJYLRDMHTJWIQW-VNOUJWGASA-N

> <INCHI>
InChI=1S/C24H40O6/c1-12(8-19(27)22(29)30)15-4-5-16-21-17(11-20(28)24(15,16)3)23(2)7-6-14(25)9-13(23)10-18(21)26/h12-21,25-28H,4-11H2,1-3H3,(H,29,30)/t12-,13-,14-,15-,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)C[C@@H](O)C(O)=O)CC[C@@]4([H])[C@]3([H])[C@H](O)C[C@@]2([H])C[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 24:1;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931546

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$