LMST04030040
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0  0  0  0  0  0  0  0999 V2000
    6.9305    7.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283    6.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283    5.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9305    5.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7327    5.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5349    5.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3373    5.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3373    6.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5349    7.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7327    6.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5349    8.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3373    8.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1394    8.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1394    7.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7439    7.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7439    8.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417    8.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1394    8.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7327    7.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417    9.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1873    9.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5835    9.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2253    9.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8671    9.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5087    9.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1506    9.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5087    8.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4612    8.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417   10.1732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7327    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9386    5.4282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3373    9.3348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8656   10.2859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6782    9.4036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0693    8.3885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3373    7.5767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5174    6.4734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1394    6.5336    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
 26 35  1  0  0  0  0
 27 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>
LMST04030040

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5beta-Cholestane-3alpha,7alpha,12alpha,24,26,27-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>
DIPHJTHZUWDJIK-SWGMEOGHSA-N

> <INCHI>
InChI=1S/C27H48O6/c1-15(4-7-22(31)16(13-28)14-29)19-5-6-20-25-21(12-24(33)27(19,20)3)26(2)9-8-18(30)10-17(26)11-23(25)32/h15-25,28-33H,4-14H2,1-3H3/t15-,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(CO)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>
5284214

> <LIPIDBANK_ID>
BBA0353

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$