LMST04030093
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.9135    7.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1212    6.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1212    5.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9135    5.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7059    5.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4982    5.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2907    5.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2907    6.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4982    7.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7059    6.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4982    8.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2907    8.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0829    8.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0829    7.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6677    7.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6677    8.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8753    8.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0829    8.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7059    7.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8753    9.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1302    9.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5092    9.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1431    9.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7770    9.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4107    9.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0447    9.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4107    8.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3885    8.8964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8753   10.1126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7059    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8846    5.4259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2907    9.2844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5092   10.2889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2907    7.5480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4809    6.4582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0829    6.5178    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
 12 33  1  6  0  0  0
 22 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>
LMST04030093

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5beta-Cholestane-3alpha,7alpha,12alpha,22-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>
MLULULTZNSKKMF-GYXDSTCHSA-N

> <INCHI>
InChI=1S/C27H48O4/c1-15(2)6-9-22(29)16(3)19-7-8-20-25-21(14-24(31)27(19,20)5)26(4)11-10-18(28)12-17(26)13-23(25)30/h15-25,28-31H,6-14H2,1-5H3/t16-,17-,18+,19+,20-,21-,22?,23+,24-,25-,26-,27+/m0/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)C(O)CCC(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 27:0;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284256

> <LIPIDBANK_ID>
BBA0419

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$