LMST01010197
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.9833    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    7.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4123    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6258    7.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1108    7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    7.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8412    8.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8412    9.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    6.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0548    9.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3403    9.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4838    9.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4838    8.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1982    9.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9113    9.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6258    9.3799    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7692    9.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6258    8.5549    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3403    8.9674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5544    5.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833    5.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9833    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    6.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6978    5.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0  0  0  0
 13 24  1  0  0  0  0
 13  6  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  2  0  0  0  0
 11  3  1  0  0  0  0
  4 31  1  0  0  0  0
  4  9  1  1  0  0  0
  4  1  1  0  0  0  0
 24  8  1  0  0  0  0
  5  6  1  0  0  0  0
  8  7  1  0  0  0  0
 26  3  1  0  0  0  0
 31 29  1  0  0  0  0
 31 26  1  0  0  0  0
  2  1  1  0  0  0  0
 27 29  1  0  0  0  0
 27  2  1  0  0  0  0
 12 15  1  6  0  0  0
 13 14  1  1  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 22 17  1  0  0  0  0
 24 22  1  0  0  0  0
 18 23  1  0  0  0  0
 20 18  1  0  0  0  0
 18 19  1  0  0  0  0
 22 21  1  6  0  0  0
 24 25  1  6  0  0  0
 27 28  1  1  0  0  0
 29 30  1  6  0  0  0
 31 32  1  6  0  0  0
M  END
> <LM_ID>
LMST01010197

> <COMMON_NAME>
4alpha-methylcholest-8-en-3beta-ol

> <SYSTEMATIC_NAME>
4alpha-methyl-5alpha-cholest-8-en-3beta-ol

> <FORMULA>
C28H48O

> <MASS>
400.37

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4alpha-Methylcholesta-8-en-3beta-ol

> <INCHI_KEY>
SCEZIHJVTBQOLS-YIJYGBTNSA-N

> <INCHI>
InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-24,26,29H,7-17H2,1-6H3/t19-,20+,22-,23+,24+,26+,27-,28+/m1/s1

> <SMILES>
C1C[C@H](O)[C@@H](C)[C@]2([H])CCC3=C([C@]21C)CC[C@]1(C)[C@@]([H])([C@H](C)CCCC(C)C)CC[C@]13[H]

> <KEGG_ID>
C05110

> <HMDB_ID>
HMDB0062394

> <CHEBI_ID>
87051

> <ABBREVIATION>
ST 28:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000489961

> <PUBCHEM_COMPOUND_ID>
6452640

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$