LMST01080052
  LIPID_MAPS_STRUCTURE_DATABASE

 36 41  0     0  0            999 V2000
    8.4156    7.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9402    7.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9402    8.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0989    8.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2569    8.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0989    9.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9402   10.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7819    9.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7819    8.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4653    8.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4653    9.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6235   10.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7819   10.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2569    9.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9402    9.3161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0803    8.1589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7819    8.2220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3067   10.4338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6235   11.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0618   11.9672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8795   12.4032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2975   11.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5415   11.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0048   12.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5740    7.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.0323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2569    7.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2569    6.5466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1234   12.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1416   13.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5740    8.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4156    8.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0989    7.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0989    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4162   11.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4273   10.7156    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
 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 30  1  1  0  0  0
 33 34  1  6  0  0  0
 29 23  1  0  0  0  0
 35 23  1  0  0  0  0
 22 35  1  0  0  0  0
 35 36  1  6     0  0
M  END
> <LM_ID>
LMST01080052

> <COMMON_NAME>
Neosolaspigenin

> <SYSTEMATIC_NAME>
(25S)-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-ZSHNAYFSSA-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-/m0/s1

> <SMILES>
C1[C@@]2([H])[C@@](C)([C@@]3([H])CC[C@]4(C)[C@H]5[C@@H]([C@@]6([C@H](O)C[C@H](C)CO6)O[C@H]5C[C@@]4([H])[C@]3([H])C[C@@H]2O)C)CC[C@@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:2;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
156656

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
374015

> <CITATION>
-

$$$$