LMST01031035
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    8.4862    8.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5518    7.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5518    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4862    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3544    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2887    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3544    8.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4204    7.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3544    9.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2887    9.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2225    9.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2225    8.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0909    8.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0909    9.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1567    9.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2225   10.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4204    8.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1567   10.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2784   10.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9040   11.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6512   10.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3984   11.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1457   10.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2225    7.3810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7615   10.1852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1567   11.6189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3544    7.3988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3984   11.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    6.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4204    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1457    9.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9901    9.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8934   11.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8275   10.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2887    7.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2887    8.7570    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 30  1  0  0  0  0
 30  5  2  0  0  0  0
  5  6  1  0  0  0  0
 35  6  1  0  0  0  0
 35  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 23  1  0  0  0  0
 23 33  1  0  0  0  0
 23 31  1  0  0  0  0
  8  1  1  0  0  0  0
 30  8  1  0  0  0  0
  7  8  1  0  0  0  0
 35 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 24  1  6  0  0  0
 15 25  1  6  0  0  0
 18 26  1  1  0  0  0
  7 27  1  6  0  0  0
 22 28  2  0  0  0  0
  3 29  1  1  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  1  0  0  0
M  END
> <LM_ID>
LMST01031035

> <COMMON_NAME>
Xestosterol

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

> <FORMULA>
C30H50O

> <MASS>
426.39

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KQJDEZHTINCILX-OJMNJZCNSA-N

> <INCHI>
InChI=1S/C30H50O/c1-7-22(8-2)20(3)9-10-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h11,21-22,24-28,31H,3,7-10,12-19H2,1-2,4-6H3/t21-,24+,25+,26-,27+,28+,29+,30-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
173001

> <ABBREVIATION>
ST 30:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931353

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
178552

> <CITATION>
-

$$$$