LMST01031249
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
    8.2780    8.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3279    7.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3279    6.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    6.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2278    6.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1779    6.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1280    6.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1280    7.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1779    8.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2278    7.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1779    9.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1280    9.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0780    9.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0780    8.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9785    8.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9785    9.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0284    9.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0780   10.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2278    8.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0284   10.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1348   11.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7884   11.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5485   10.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3085   11.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0684   10.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8285   11.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0439   10.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6436   10.3424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0284   11.8006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6481    6.3037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3069   12.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1028    8.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1572    7.4188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0780    7.6924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2278    5.6864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2781    5.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3119    9.9386    0.0000 O   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  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  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 28  1  6  0  0  0
 20 29  1  1  0  0  0
  3 30  1  1  0  0  0
 24 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
  5 35  1  6     0  0
  4 36  1  6     0  0
 11 37  1  1     0  0
M  END
> <LM_ID>
LMST01031249

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
4alpha-Methyl-5alpha-cholest-22E-en-3beta,8beta,11beta-triol

> <FORMULA>
C29H50O3

> <MASS>
446.38

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OUQFXLCYPPKFJT-OHIYEKGQSA-N

> <INCHI>
InChI=1S/C29H50O3/c1-17(2)18(3)8-9-19(4)21-10-11-25-28(21,7)16-24(31)26-27(6)14-13-23(30)20(5)22(27)12-15-29(25,26)32/h8-9,17-26,30-32H,10-16H2,1-7H3/b9-8+/t18-,19+,20-,21+,22-,23-,24-,25+,26+,27-,28+,29+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
132529876

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2641924

> <CITATION>
35031429

$$$$