LMST04030132
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.5573    7.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7620    6.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7620    5.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5573    5.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3526    5.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1480    5.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9434    5.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9434    6.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1480    7.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3526    6.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1480    8.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9434    8.6128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7386    8.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7386    7.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3294    7.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3294    8.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5341    8.6128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7386    8.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3526    7.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5341    9.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7861    9.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1703    9.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8066    9.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4429    9.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0790    9.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7154    9.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0790    8.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0491    8.9101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5341   10.1309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5396    5.4266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3526    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7154   10.2426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2384    9.3679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9434    7.5567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1306    6.4628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7386    6.5226    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  2  0  0  0  0
  7 31  1  6  0  0  0
  5 32  1  6  0  0  0
 26 33  2  0  0  0  0
 26 34  1  0  0  0  0
  8 35  1  1  0  0  0
  9 36  1  6  0  0  0
 14 37  1  6  0  0  0
M  END
> <LM_ID>
LMST04030132

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3-Oxo-7alpha-hydroxy-5alpha-cholestan-26-oic acid

> <FORMULA>
C27H44O4

> <MASS>
432.32

> <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>
FCOCCOWPTKNMKW-PPIUQDRYSA-N

> <INCHI>
InChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h16-18,20-24,29H,5-15H2,1-4H3,(H,30,31)/t16-,17?,18-,20-,21+,22+,23-,24+,26+,27-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:2;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284285

> <LIPIDBANK_ID>
BBA0458

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$