LMST01040159
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
    8.4827    8.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5501    7.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5501    6.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4827    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3471    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2797    6.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3471    8.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4151    7.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3471    9.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2797    9.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2117    9.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2117    8.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0764    8.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0764    9.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1438    9.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2117   10.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4151    8.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1438   10.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2672   10.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8897   11.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6354   10.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3811   11.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2117    7.3784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7475   10.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1438   11.6078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3471    7.3961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    6.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4151    6.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1270    9.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9696    9.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8732   11.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8054   10.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2797    7.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2797    8.7517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1270   10.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3811   11.9811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4490   12.5193    0.0000 C   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 28  1  0  0  0  0
 28  5  2  0  0  0  0
  5  6  1  0  0  0  0
 33  6  1  0  0  0  0
 33  7  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 15 18  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 35  1  0  0  0  0
 35 31  1  0  0  0  0
 35 29  1  0  0  0  0
  8  1  1  0  0  0  0
 28  8  1  0  0  0  0
  7  8  1  0  0  0  0
 33 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  1  0  0  0
  8 17  1  1  0  0  0
 18 19  1  0  0  0  0
 12 23  1  6  0  0  0
 15 24  1  6  0  0  0
 18 25  1  1  0  0  0
  7 26  1  6  0  0  0
 22 36  2  0  0  0  0
  3 27  1  1  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  1  0  0  0
 36 37  1  0  0  0  0
M  END
> <LM_ID>
LMST01040159

> <COMMON_NAME>
28-methylxestosterol

> <SYSTEMATIC_NAME>
24E-ethylidene-26,27-dimethylcholest-5-en-3beta-ol

> <FORMULA>
C31H52O

> <MASS>
440.40

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Stigmasterols and C24-ethyl derivatives [ST0104]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GNRQRRXRRQIRHQ-IOLMJGDPSA-N

> <INCHI>
InChI=1S/C31H52O/c1-7-22(8-2)23(9-3)11-10-21(4)27-14-15-28-26-13-12-24-20-25(32)16-18-30(24,5)29(26)17-19-31(27,28)6/h9,12,21-22,25-29,32H,7-8,10-11,13-20H2,1-6H3/b23-9+/t21-,25+,26+,27-,28+,29+,30+,31-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC/C(=C\C)/C(CC)CC)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 31:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931384

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2737399

> <CITATION>
-

$$$$