LMST04030043
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0  0  0  0  0  0  0  0999 V2000
    6.9334    7.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1295    6.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1295    5.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9334    5.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7373    5.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5412    5.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3452    5.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3452    6.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5412    7.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7373    6.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5412    8.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3452    8.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1490    8.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1490    7.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7570    7.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7570    8.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9531    8.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1490    8.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7373    7.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9531    9.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1971    9.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5962    9.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2393    9.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8825    9.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5255    9.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1687    9.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5255    8.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4737    8.9497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9531   10.1836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9479    5.4285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3452    9.3434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5962   10.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7373    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1687   10.2965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6975    9.4123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3452    7.5816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5237    6.4759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1490    6.5364    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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  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
 17 28  1  6  0  0  0
 20 29  1  1  0  0  0
  3 30  1  6  0  0  0
  7 31  1  6  0  0  0
 12 32  1  6  0  0  0
 22 33  1  0  0  0  0
  5 34  1  1  0  0  0
 26 35  2  0  0  0  0
 26 36  1  0  0  0  0
  8 37  1  1  0  0  0
  9 38  1  6  0  0  0
 14 39  1  6  0  0  0
M  END
> <LM_ID>
LMST04030043

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3alpha,7alpha,12alpha,22-Tetrahydroxy-5beta-cholestan-26-oic acid

> <FORMULA>
C27H46O6

> <MASS>
466.33

> <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>
MDFNVHMQCZHMCN-PQUODPOPSA-N

> <INCHI>
InChI=1S/C27H46O6/c1-14(25(32)33)5-8-21(29)15(2)18-6-7-19-24-20(13-23(31)27(18,19)4)26(3)10-9-17(28)11-16(26)12-22(24)30/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/t14?,15-,16-,17+,18+,19-,20-,21?,22+,23-,24-,26-,27+/m0/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)C(O)CCC(C)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>
185756

> <ABBREVIATION>
ST 27:1;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284217

> <LIPIDBANK_ID>
BBA0363

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$