LMST04030008
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
    8.3783    8.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4189    8.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4189    7.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3783    6.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3377    7.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2971    6.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567    7.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567    8.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2971    8.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3377    8.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2971    9.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567   10.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2160    9.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2160    8.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1349    8.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1349    9.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1755   10.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2160   10.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3377    8.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1755   11.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2733   11.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9430   11.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7105   11.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4780   11.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2454   11.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0130   11.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2454   10.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7968   10.7789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1755   12.2515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3377    6.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.7005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9758    6.5766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567   11.2487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6441   11.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567    9.1462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2762    7.8266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2160    7.8988    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
 26 34  1  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>
LMST04030008

> <COMMON_NAME>
27-Deoxy-5alpha-Cyprinol

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

> <FORMULA>
C27H48O4

> <MASS>
436.36

> <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>
XJZGNVBLVFOSKJ-PLAINUPSSA-N

> <INCHI>
InChI=1S/C27H48O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-25,28-31H,5-15H2,1-4H3/t16?,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)CCCC(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>
181118

> <ABBREVIATION>
ST 27:0;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284187

> <LIPIDBANK_ID>
BBA0310

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
7962

> <CITATION>
14449174

$$$$