LMST01050017
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.9052    6.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1178    6.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1178    5.4547    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9052    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6925    5.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4801    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2676    5.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2676    6.3640    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4801    6.8187    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6925    6.3640    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4801    7.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2676    8.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0549    7.7279    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0549    6.8187    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6299    6.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6299    7.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8424    8.1827    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0549    8.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6925    7.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8424    8.9100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1020    9.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4724    9.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1024    8.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7323    9.2737    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3525    8.4770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8424    9.6857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.1295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2676    7.1369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4628    6.0538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0549    6.1131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3430    8.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9539    9.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7323    9.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3430    8.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1302   10.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3484   10.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9488    8.5714    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  2  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 23  1  0  0  0  0
 23 24  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 25  1  6  0  0  0
 20 26  1  1  0  0  0
  3 27  1  1  0  0  0
  8 28  1  1  0  0  0
  9 29  1  6  0  0  0
 14 30  1  6  0  0  0
 24 31  1  0  0  0  0
 31 32  1  0  0  0  0
 33 24  1  0  0  0  0
 31 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  2  0  0  0  0
 31 37  1  0  0  0  0
M  END
> <LM_ID>
LMST01050017

> <COMMON_NAME>
25-Methyl-24-isopropenyl-cholesterol

> <SYSTEMATIC_NAME>
25-Methyl-24-isopropenyl-cholest-5-en-3beta-ol

> <FORMULA>
C31H52O

> <MASS>
440.40

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
C24-propyl sterols and derivatives [ST0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XSDDNSUCLCIHER-PIANLKICSA-N

> <INCHI>
InChI=1S/C31H52O/c1-20(2)25(29(4,5)6)12-9-21(3)26-13-14-27-24-11-10-22-19-23(32)15-17-30(22,7)28(24)16-18-31(26,27)8/h10,21,23-28,32H,1,9,11-19H2,2-8H3/t21-,23+,24+,25?,26-,27+,28+,30+,31-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(C(=C)C)C(C)(C)C)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>
52931412

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
281489

> <CITATION>
15013687

$$$$