LMST04030094
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.9124    7.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1207    6.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1207    5.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9124    5.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7041    5.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4958    5.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2876    5.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2876    6.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4958    7.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7041    6.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4958    8.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2876    8.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792    8.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792    7.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6627    7.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6627    8.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8710    8.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792    8.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7041    7.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8710    9.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1265    9.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5043    9.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1377    9.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7710    9.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4043    9.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0378    9.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4043    8.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3837    8.8934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8710   10.1086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8811    5.4258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2876    9.2811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7041    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1362    8.7113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2876    7.5461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4785    6.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792    6.5168    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
  5 33  1  1  0  0  0
 23 34  2  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>
LMST04030094

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-23-one

> <FORMULA>
C27H46O4

> <MASS>
434.34

> <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>
DEBSZCRVYDZETE-UVDIOJNKSA-N

> <INCHI>
InChI=1S/C27H46O4/c1-15(2)10-19(29)11-16(3)20-6-7-21-25-22(14-24(31)27(20,21)5)26(4)9-8-18(28)12-17(26)13-23(25)30/h15-18,20-25,28,30-31H,6-14H2,1-5H3/t16-,17+,18-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)CC(=O)CC(C)C)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 27:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284257

> <LIPIDBANK_ID>
BBA0420

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$