LMST04030210
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0  0  0  0  0  0  0  0999 V2000
    6.9119    7.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1205    6.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1205    5.8547    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9119    5.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7034    5.8547    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4946    5.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2863    5.8547    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2863    6.7685    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4946    7.2255    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7034    6.7685    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4946    8.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2863    8.5962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0775    8.1392    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0775    7.2255    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6604    7.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8690    8.5962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0775    8.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7034    7.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8690    9.3272    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1248    9.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5021    9.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1352    9.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7685    9.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4013    9.3272    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3815    8.8921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8690   10.1069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8795    5.4258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2863    9.2796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7034    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5550    9.3475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2863    7.5453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4774    6.4569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0775    6.5163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4013    8.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6604    8.1392    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.0347    9.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4518    8.5961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0347   10.4335    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 36  1  0  0  0  0
 36 16  1  0  0  0  0
 16 19  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 37  1  0  0  0  0
 24 35  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 16  1  0  0  0  0
 13 17  1  1  0  0  0
 10 18  1  1  0  0  0
 19 20  1  6  0  0  0
 16 25  1  6  0  0  0
 19 26  1  1  0  0  0
  3 27  1  6  0  0  0
  7 28  1  6  0  0  0
 12 29  1  6  0  0  0
  5 30  1  1  0  0  0
 37 31  1  0  0  0  0
  8 32  1  1  0  0  0
  9 33  1  6  0  0  0
 14 34  1  6  0  0  0
 36 38  1  6  0  0  0
 37 39  2  0  0  0  0
M  END
> <LM_ID>
LMST04030210

> <COMMON_NAME>
3alpha,7alpha,12alpha,16alpha-Tetrahydroxy-5beta-cholestan-26-oic acid

> <SYSTEMATIC_NAME>
3alpha,7alpha,12alpha,16alpha-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>
RZONGASFCUAARL-FQOXINNRSA-N

> <INCHI>
InChI=1S/C27H46O6/c1-14(6-5-7-15(2)25(32)33)24-21(30)12-19-23-18(13-22(31)27(19,24)4)26(3)9-8-17(28)10-16(26)11-20(23)29/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/t14-,15?,16+,17-,18+,19+,20-,21-,22+,23-,24+,26+,27-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193260

> <ABBREVIATION>
ST 27:1;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931545

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$