LMST01080045
  LIPID_MAPS_STRUCTURE_DATABASE

 33 38  0  0  0  0  0  0  0  0999 V2000
    6.2453    6.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9361    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0088    5.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0088    6.1967    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3179    6.5955    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6270    6.1967    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3179    7.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    7.3932    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6997    6.5955    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0814    6.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0814    7.3932    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3904    7.7922    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6997    8.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6270    6.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0088    6.8748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3027    5.9245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    5.9766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7724    7.7922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3904    8.5901    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9294    9.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2423    9.4090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7647    8.5818    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6070    8.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0846    9.4293    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1663    9.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0857   10.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2453    5.3990    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6270    5.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6831    8.8445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3179    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0088    7.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9361    6.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 33  1  1  0  0  0  0
  1 27  1  0  0  0  0
 27  2  1  0  0  0  0
  2 28  1  0  0  0  0
 28 30  2  0  0  0  0
 30  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  7 31  1  0  0  0  0
 31  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 33  6  1  0  0  0  0
 28  6  1  0  0  0  0
  5  6  1  0  0  0  0
  4  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  1  0  0  0
  6 14  1  1  0  0  0
  4 15  1  1  0  0  0
  5 16  1  6  0  0  0
  9 17  1  6  0  0  0
 11 18  1  1  0  0  0
 12 19  1  1  0  0  0
 19 20  1  6  0  0  0
 22 21  1  6  0  0  0
 22 29  1  1  0  0  0
 29 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 18  1  0  0  0  0
 24 26  1  0  0  0  0
 27 32  1  1  0  0  0
 24 23  1  1  0  0  0
M  END
> <LM_ID>
LMST01080045

> <COMMON_NAME>
Yamogenin

> <SYSTEMATIC_NAME>
(25S)-spirost-5-en-3beta-ol

> <FORMULA>
C27H42O3

> <MASS>
414.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Spirostanols and derivatives [ST0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WQLVFSAGQJTQCK-CAKNJAFZSA-N

> <INCHI>
InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1

> <SMILES>
C1[C@H](O)CC2[C@@](C)([C@@]3([H])CC[C@]4(C)[C@H]5[C@@H]([C@]6(O[C@H]5C[C@@]4([H])[C@]3([H])CC=2)CC[C@H](C)CO6)C)C1

> <KEGG_ID>
C08918

> <HMDB_ID>
-

> <CHEBI_ID>
10086

> <ABBREVIATION>
ST 27:3;O3

> <CAYMAN_ID>
36008

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
441900

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
59116

> <CITATION>
-

$$$$