LMST04030109
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    6.8975    7.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1145    6.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1145    5.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8975    5.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6804    5.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4634    5.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2465    5.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2465    6.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4634    7.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6804    6.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4634    8.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2465    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0294    8.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0294    7.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5954    7.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5954    8.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8125    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0294    8.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6804    7.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8125    9.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0762    9.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4388    9.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0652    9.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6916    9.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3179    9.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9444    9.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3179    8.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3195    8.8533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8125   10.0551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6804    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8334    5.4238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2465    7.5208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4463    6.4439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0294    6.5028    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
  5 30  1  1  0  0  0
  3 31  1  6  0  0  0
  7 32  1  6  0  0  0
  8 33  1  1  0  0  0
  9 34  1  6  0  0  0
 14 35  1  6  0  0  0
M  END
> <LM_ID>
LMST04030109

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5beta-Cholestane-3alpha,7alpha-diol

> <FORMULA>
C27H48O2

> <MASS>
404.37

> <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>
APYVEUGLZHAHDJ-TVRYRFOISA-N

> <INCHI>
InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1

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

> <KEGG_ID>
C05452

> <HMDB_ID>
HMDB0006893

> <CHEBI_ID>
28047

> <ABBREVIATION>
ST 27:0;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3080603

> <LIPIDBANK_ID>
BBA0435

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$