LMST04010488
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    8.0841   -7.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1420   -8.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1420   -9.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0841   -9.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0261   -9.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9682   -9.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9104   -9.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9104   -8.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9682   -7.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0261   -8.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9682   -6.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9104   -5.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8523   -6.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8523   -7.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7365   -7.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7365   -6.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7944   -5.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8523   -5.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0261   -7.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7944   -5.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9087   -4.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5481   -4.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3019   -5.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0555   -4.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4682   -9.6155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0261   -9.9492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0555   -3.9008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8090   -5.0928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9104   -7.2140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9477   -8.5097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8523   -8.4389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4045   -5.6109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7944   -4.1648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1021   -6.0070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6750   -4.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9682  -10.7705    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 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
  5 26  1  1  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
 11 34  1  6     0  0
 28 35  1  0     0  0
  6 36  1  1     0  0
M  END
> <LM_ID>
LMST04010488

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Methyl-3alpha,6beta,11alpha-trihydroxy-5beta-cholan-24-olate

> <FORMULA>
C25H42O5

> <MASS>
422.30

> <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>
LOZQZVZSQUKYOP-HCCCSLDNSA-N

> <INCHI>
InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-16-12-20(27)19-11-15(26)9-10-24(19,2)23(16)21(28)13-25(17,18)3/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15-,16+,17-,18+,19+,20-,21-,23-,24+,25-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 25:1;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
40380

> <CITATION>
42906741

$$$$