LMST01080007
  LIPID_MAPS_STRUCTURE_DATABASE

 34 39  0  0  0  0  0  0  0  0999 V2000
    6.9385    6.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2465    6.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9385    5.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0149    5.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0149    6.5983    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3228    6.9979    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6306    6.5983    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3228    7.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7070    7.7971    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7070    6.9979    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0911    6.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0911    7.7971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3991    8.1967    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7070    8.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6306    7.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0149    7.2776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3076    6.3257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7070    6.3778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7833    8.1967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    8.9960    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9371    9.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542    9.8164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7758    8.9877    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6213    9.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0997    9.8367    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1797    9.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0705   10.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2465    5.7992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6306    5.7992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6306    5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6958    9.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3228    5.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0149    8.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 28  1  0  0  0  0
 28  3  1  0  0  0  0
  3 29  1  0  0  0  0
 29 32  1  0  0  0  0
 32  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  8 33  1  0  0  0  0
 33  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
 12 13  1  0  0  0  0
  1  7  1  0  0  0  0
 29  7  1  0  0  0  0
  6  7  1  0  0  0  0
  5 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  1  0  0  0
  7 15  1  1  0  0  0
  5 16  1  1  0  0  0
  6 17  1  6  0  0  0
 10 18  1  6  0  0  0
 12 19  1  1  0  0  0
 13 20  1  1  0  0  0
 20 21  1  6  0  0  0
 23 22  1  6  0  0  0
 23 31  1  1  0  0  0
 31 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 19  1  0  0  0  0
 25 27  1  0  0  0  0
 28 34  1  1  0  0  0
 29 30  1  1  0  0  0
 25 24  1  1  0  0  0
M  END
> <LM_ID>
LMST01080007

> <COMMON_NAME>
Sarsasapogenenin

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

> <FORMULA>
C27H44O3

> <MASS>
416.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Spirostanols and derivatives [ST0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Parigenin; Sarsasapogenin

> <INCHI_KEY>
GMBQZIIUCVWOCD-WWASVFFGSA-N

> <INCHI>
InChI=1S/C27H44O3/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/h16-24,28H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1

> <SMILES>
C1[C@]2(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[C@]2([H])C[C@@H](O)C1)CC[C@H](C)CO6)C

> <KEGG_ID>
C03963

> <HMDB_ID>
HMDB0030024

> <CHEBI_ID>
15578

> <ABBREVIATION>
ST 27:2;O3

> <CAYMAN_ID>
24973

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
92095

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$