LMST01080000
  Accord  08271317182D

 33 38  0  0  0  0  0  0  0  0999 V2000
    5.6985    6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6985    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3970    5.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0955    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7941    5.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7941    6.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0955    6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3970    6.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0955    7.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7941    8.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4926    7.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4926    6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8897    6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8897    7.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1911    8.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4926    8.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3970    7.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7941    7.1432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0802    6.1824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4926    6.2350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5883    8.0707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1911    8.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7249    9.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0636    9.7054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5807    8.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5092    9.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4432    8.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9261    9.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9976    9.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5078    9.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0610   10.2293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  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 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
  8 20  1  1  0  0  0
  9 21  1  6  0  0  0
 14 22  1  6  0  0  0
 16 23  1  1  0  0  0
 17 24  1  1  0  0  0
 24 25  1  6  0  0  0
 27 26  1  6  0  0  0
 27 28  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 23  1  0  0  0  0
 30 32  1  6  0  0  0
 30 33  1  1  0  0  0
M  END
> <LM_ID>
LMST01080000

> <COMMON_NAME>
Spirostane skeleton

> <SYSTEMATIC_NAME>


> <FORMULA>


> <MASS>
-

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Spirostanols and derivatives [ST0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
INLFWQCRAJUDCR-LYLBMTSKSA-N

> <INCHI>
InChI=1S/C27H44O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h17-24H,5-16H2,1-4H3/t17-,18+,19?,20-,21+,22+,23+,24+,25+,26+,27-/m1/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])CCC2CCC1)CC[C@@]([H])(C)CO6)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
26745

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
53925414

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$