LMST01031089
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
    8.4934    8.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5553    8.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5553    7.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4934    6.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4316    7.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3696    6.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3079    7.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3079    8.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3696    8.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4316    8.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3696    9.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3079   10.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2458    9.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2458    8.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1223    8.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1223    9.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1841   10.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2458   10.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4316    8.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1841   11.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3019   11.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9345   11.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6851   11.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1860   11.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9366   11.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1860   10.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3079    9.1479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2458    7.9282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7916   10.7444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1841   12.1843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3696    7.9461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3079   11.2164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9451   10.3270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4316    6.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4356   11.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4356   12.7768    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 23  1  0  0  0  0
 23 36  1  0  0  0  0
 36 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
  8 27  1  1  0  0  0
 14 28  1  6  0  0  0
 17 29  1  6  0  0  0
 20 30  1  1  0  0  0
  9 31  1  6  0  0  0
  3 32  1  6  0  0  0
  5 35  1  6  0  0  0
 12 33  1  6  0  0  0
 16 34  1  6  0  0  0
 36 37  2  0  0  0  0
M  END
> <LM_ID>
LMST01031089

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
24-methylene-5alpha-cholestan-3alpha,12alpha,16alpha-triol

> <FORMULA>
C28H48O3

> <MASS>
432.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TXNNVGFGCZGHTJ-MRJHAOBPSA-N

> <INCHI>
InChI=1S/C28H48O3/c1-16(2)17(3)7-8-18(4)26-24(30)14-23-21-10-9-19-13-20(29)11-12-27(19,5)22(21)15-25(31)28(23,26)6/h16,18-26,29-31H,3,7-15H2,1-2,4-6H3/t18-,19+,20-,21-,22+,23+,24-,25+,26+,27+,28-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
183530

> <ABBREVIATION>
ST 28:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
25208282

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1346159

> <CITATION>
21152619

$$$$