LMST04030111
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    6.8995    7.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1153    6.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1153    5.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8995    5.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6837    5.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4679    5.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2522    5.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2522    6.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4679    7.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6837    6.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4679    8.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2522    8.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0362    8.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0362    7.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6047    7.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6047    8.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8205    8.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0362    8.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6837    7.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8205    9.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0831    9.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4479    9.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0752    9.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7026    9.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3298    9.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9573    9.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3298    8.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3284    8.8588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8205   10.0624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6837    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2522    9.2428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2522    7.5243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4508    6.4458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0362    6.5047    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
 12 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>
LMST04030111

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5beta-Cholestane-3alpha,12alpha-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>
XXGBPWONQCELLQ-QLSUIZBQSA-N

> <INCHI>
InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)13-14-26(19,4)24(21)16-25(29)27(22,23)5/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])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C)C)CC[C@@]4([H])[C@]3([H])CC[C@]2([H])C[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186612

> <ABBREVIATION>
ST 27:0;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284269

> <LIPIDBANK_ID>
BBA0437

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$