LMST04030030
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0  0  0  0  0  0  0  0999 V2000
    6.9252    7.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1260    6.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1260    5.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9252    5.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7243    5.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234    5.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3226    5.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3226    6.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234    7.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7243    6.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234    8.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3226    8.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1216    8.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1216    7.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7200    7.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7200    8.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9209    8.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1216    8.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7243    7.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9209    9.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1694    9.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5602    9.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1995    9.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8388    9.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4780    9.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1174    9.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4780    8.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4384    8.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9209   10.1542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7243    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9217    5.4275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3226    9.3189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8373   10.2664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1188    8.8840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6429    9.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3226    7.5677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5060    6.4686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1216    6.5287    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
 24 34  1  0  0  0  0
 25 35  1  0  0  0  0
 26 36  1  0  0  0  0
  8 37  1  1  0  0  0
  9 38  1  6  0  0  0
 14 39  1  6  0  0  0
M  END
> <LM_ID>
LMST04030030

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5beta-Cholestane-3alpha,7alpha,12alpha,24,25,26-hexol

> <FORMULA>
C27H48O6

> <MASS>
468.35

> <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>
BUVRTWKYVCCTJS-XZDMGHEHSA-N

> <INCHI>
InChI=1S/C27H48O6/c1-15(5-8-22(31)26(3,33)14-28)18-6-7-19-24-20(13-23(32)27(18,19)4)25(2)10-9-17(29)11-16(25)12-21(24)30/h15-24,28-33H,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(O)(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;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284205

> <LIPIDBANK_ID>
BBA0338

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$