LMST01070039
  LIPID_MAPS_STRUCTURE_DATABASE

 34 39  0     0  0            999 V2000
    5.2679    6.1472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8482    5.9115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7942   11.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0510   10.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0438    9.6291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3684   10.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7427    7.4803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8734    8.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0097    6.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1460    6.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1460    7.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0097    8.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6138    6.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7427    6.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8734    6.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8734    7.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4886    7.4016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4922   10.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6138    8.4635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3684    9.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2412    9.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2377    8.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4886    8.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4922    9.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7427    8.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7338    9.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6084    9.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6138    7.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8118   10.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9522   10.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4151   11.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5978   11.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5114   11.4043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0939   11.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  1     0  0
 15  2  1  1     0  0
  6  3  1  6  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
 21  5  1  1  0  0  0
 20  6  1  1  0  0  0
 25  7  1  6  0  0  0
 16  8  1  1  0  0  0
  9 15  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 16 12  1  0  0  0  0
 13 28  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 25 16  1  0  0  0  0
 23 17  1  6  0  0  0
 24 18  1  1  0  0  0
 28 19  1  1  0  0  0
 23 22  1  0  0  0  0
 20 24  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 24 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 24 27  1  0  0  0  0
 28 23  1  0  0  0  0
 28 25  1  0  0  0  0
  4 29  1  1     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33  4  1  0     0  0
 31 34  2  0     0  0
M  END
> <LM_ID>
LMST01070039

> <COMMON_NAME>
Schidigerasgenin A

> <SYSTEMATIC_NAME>
5beta-spirost-25(27)-en-3beta-ol

> <FORMULA>
C27H42O3

> <MASS>
414.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Furostanols and derivatives [ST0107]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Macranthogenin

> <INCHI_KEY>
GFGFAMNBRXAQGB-IWIXHQKLSA-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/h17-24,28H,1,5-15H2,2-4H3/t17-,18+,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1

> <SMILES>
O[C@H]1CC[C@@]2([C@@]3([C@@]([C@]4([C@](CC3)([C@@H]3[C@H](C4)O[C@@]4(OCC(=C)CC4)[C@H]3C)C)[H])([H])CC[C@@]2(C1)[H])[H])C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10645479

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
272846

> <CITATION>
17936315

$$$$