LMST01031047
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    6.8942    6.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1131    6.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1131    5.5991    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8942    5.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6753    5.5991    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4564    5.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375    5.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375    6.5010    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4564    6.9521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6753    6.5010    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4564    7.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375    8.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0185    7.8540    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0185    6.9521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5808    6.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5808    7.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7997    8.3050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0185    8.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6753    7.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7997    9.0265    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0652    9.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4245    9.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743    9.3873    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.2991    9.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9241    9.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2991    8.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3055    8.5970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7997    9.7959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6504   10.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6753    5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375    7.2677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4393    6.1935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0185    6.2522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0494    9.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0494    8.1246    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  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
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 35  1  0  0  0  0
 35 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  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
 20 21  1  6  0  0  0
 17 27  1  6  0  0  0
 20 28  1  1  0  0  0
  3 29  1  1  0  0  0
 23 30  1  0  0  0  0
  5 31  1  6  0  0  0
  8 32  1  1  0  0  0
  9 33  1  6  0  0  0
 14 34  1  6  0  0  0
 35 36  2  0  0  0  0
M  END
> <LM_ID>
LMST01031047

> <COMMON_NAME>
23-methylene-24-methylcholestanol

> <SYSTEMATIC_NAME>
23-methylene-24-methyl-5alpha-cholestan-3beta-ol

> <FORMULA>
C29H50O

> <MASS>
414.39

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Ergosterols and C24-methyl derivatives [ST0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MWHOVZWWDCJZFC-OCTCCMJISA-N

> <INCHI>
InChI=1S/C29H50O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h18,20-27,30H,3,8-17H2,1-2,4-7H3/t20-,21?,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931361

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2912

> <CITATION>
-

$$$$