LMST01080051
  LIPID_MAPS_STRUCTURE_DATABASE

 36 41  0     0  0            999 V2000
    8.4131    7.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9339    7.8164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9339    8.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0939    9.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2533    8.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0939   10.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9339   10.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7743   10.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7743    9.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4551    9.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4551   10.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6146   10.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7743   10.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2533    9.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9339    9.6112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0753    8.4557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7743    8.5188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2955   10.7272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6146   11.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0538   12.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8672   12.6937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2863   11.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5269   11.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9908   12.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5728    7.8164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2533    7.8164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2533    6.8459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1077   12.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8979   12.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5728    8.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4131    9.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0939    7.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0939    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4032   12.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4142   11.0070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 32 31  1  0  0  0  0
 31 25  1  0  0  0  0
 25  1  1  0  0  0  0
  1 27  1  0  0  0  0
 27 33  1  0  0  0  0
 33  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  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 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 32  5  1  0  0  0  0
 27  5  1  0  0  0  0
  4  5  1  0  0  0  0
  3  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  1  0  0  0
  5 14  1  1  0  0  0
  3 15  1  1  0  0  0
  4 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 35  1  0  0  0  0
 35 23  1  0  0  0  0
 29 24  1  0  0  0  0
 24 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 18  1  0  0  0  0
 25 26  1  1  0  0  0
 27 28  1  6  0  0  0
 29 23  1  0  0  0  0
 29 30  1  6  0  0  0
 33 34  1  6  0  0  0
 35 36  1  1     0  0
M  END
> <LM_ID>
LMST01080051

> <COMMON_NAME>
Solaspigenin

> <SYSTEMATIC_NAME>
(25R)-5alpha-spirostan-3beta,6alpha,23R-triol

> <FORMULA>
C27H44O5

> <MASS>
448.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Spirostanols and derivatives [ST0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GDFVLFBHNREYBP-QTMMKWCYSA-N

> <INCHI>
InChI=1S/C27H44O5/c1-14-9-23(30)27(31-13-14)15(2)24-22(32-27)12-19-17-11-21(29)20-10-16(28)5-7-25(20,3)18(17)6-8-26(19,24)4/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16+,17-,18+,19+,20-,21+,22+,23+,24+,25-,26+,27+/m1/s1

> <SMILES>
C1[C@@]2([H])[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])C[C@@H]2O)[C@@H](O)C[C@@H](C)CO6)C)CC[C@@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:2;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10950403

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
374015

> <CITATION>
-

$$$$