LMST04030092
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0  0  0  0  0  0  0  0999 V2000
    6.9205    7.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1241    6.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1241    5.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9205    5.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7169    5.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5133    5.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3098    5.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3098    6.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5133    7.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7169    6.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5133    8.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3098    8.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1061    8.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1061    7.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6990    7.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6990    8.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9026    8.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1061    8.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7169    7.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9026    9.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1537    9.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5398    9.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1769    9.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8140    9.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4510    9.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0883    9.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4510    8.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4184    8.9151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9026   10.1375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7169    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9068    5.4268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3098    9.3051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1754    8.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6120    9.3734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3098    7.5598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4959    6.4645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1061    6.5243    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
 23 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>
LMST04030092

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5beta-Cholestane-3alpha,7alpha,12alpha,23,26-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>
IUDLTALIVYVWDS-HWXYYDAWSA-N

> <INCHI>
InChI=1S/C27H48O5/c1-15(14-28)9-19(30)10-16(2)20-5-6-21-25-22(13-24(32)27(20,21)4)26(3)8-7-18(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)CC(O)CC(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>
5284255

> <LIPIDBANK_ID>
BBA0418

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$