LMST01080115
  LIPID_MAPS_STRUCTURE_DATABASE

 38 43  0     0  0            999 V2000
    6.9517    8.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0995    7.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0995    6.8936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9517    6.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8037    6.8936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6558    6.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5081    6.8936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5081    7.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6558    8.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8037    7.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6558    9.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5081    9.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3601    9.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3601    8.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0645    8.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0645    9.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2123    9.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3601   10.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8037    8.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5081    8.7140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6371    7.5419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3601    7.6061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167    9.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2123   10.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6435   11.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4965   11.8397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9075   10.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0401   11.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1795   10.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7686   11.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6359   11.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4783   11.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9332   12.4787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2279    6.3904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6721   12.5475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0513   10.1369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8037    6.1639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7761    7.6579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  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
  8 20  1  1  0  0  0
  9 21  1  6  0  0  0
 14 22  1  6  0  0  0
 16 23  1  1  0  0  0
 17 24  1  1  0  0  0
 24 25  1  6  0  0  0
 27 26  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 23  1  0  0  0  0
 30 32  1  6  0  0  0
 30 33  1  1  0  0  0
  3 34  2  0     0  0
 31 35  2  0     0  0
 28 36  1  6     0  0
  5 37  1  6     0  0
 15 38  1  6     0  0
M  END
> <LM_ID>
LMST01080115

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(22R,25R)-15alpha,23alpha-dihydroxy-5alpha-spirostan-1-ene-3,26-dione

> <FORMULA>
C27H38O6

> <MASS>
458.27

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Spirostanols and derivatives [ST0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HTOYYUAYTRTMHM-UYOJODKWSA-N

> <INCHI>
InChI=1S/C27H38O6/c1-13-11-19(29)27(33-24(13)31)14(2)20-23(32-27)22(30)21-17-6-5-15-12-16(28)7-9-25(15,3)18(17)8-10-26(20,21)4/h7,9,13-15,17-23,29-30H,5-6,8,10-12H2,1-4H3/t13-,14+,15+,17-,18+,19-,20+,21-,22-,23-,25+,26-,27-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@H]5[C@@H]([C@]6(O[C@H]5[C@H](O)[C@@]4([H])[C@]3([H])CC[C@@]2([H])CC(=O)C=1)[C@H](O)C[C@@]([H])(C)C(=O)O6)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:5;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171117830

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
4112

> <CITATION>
37421992

$$$$