LMST04030017
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0  0  0  0  0  0  0  0999 V2000
    6.9242    7.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1257    6.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1257    5.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9242    5.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7228    5.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5214    5.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3201    5.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3201    6.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5214    7.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7228    6.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5214    8.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3201    8.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1186    8.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1186    7.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7159    7.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7159    8.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9173    8.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1186    8.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7228    7.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9173    9.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1663    9.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5562    9.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1951    9.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8339    9.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4727    9.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1117    9.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4727    8.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4345    8.9252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9173   10.1509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7228    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9188    5.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3201    9.3162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8325   10.2630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6369    9.3848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3201    7.5662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5040    6.4678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1186    6.5278    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  6  0  0  0
  3 31  1  6  0  0  0
  7 32  1  6  0  0  0
 12 33  1  6  0  0  0
 24 34  1  0  0  0  0
 26 35  1  0  0  0  0
  8 36  1  1  0  0  0
  9 37  1  6  0  0  0
 14 38  1  6  0  0  0
M  END
> <LM_ID>
LMST04030017

> <COMMON_NAME>
Chimaerol

> <SYSTEMATIC_NAME>
5alpha-Cholestane-3alpha,7alpha,12alpha,24,26-pentol

> <FORMULA>
C27H48O5

> <MASS>
452.35

> <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>
CPKBPCHJXMSTOE-GEQXBJOASA-N

> <INCHI>
InChI=1S/C27H48O5/c1-15(5-8-22(30)16(2)14-28)19-6-7-20-25-21(13-24(32)27(19,20)4)26(3)10-9-18(29)11-17(26)12-23(25)31/h15-25,28-32H,5-14H2,1-4H3/t15-,16?,17-,18-,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)CCC(O)C(C)CO)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 27:0;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284195

> <LIPIDBANK_ID>
BBA0325

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$