LMST01031391
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
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   10.7272   -6.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8509   -6.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8598   -7.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6129   -6.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6093   -7.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3620   -7.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3656   -6.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4910   -6.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7300   -7.2951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5809   -5.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0637   -4.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9178   -5.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7754   -4.7908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6847   -8.4294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9178   -6.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9888   -9.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7328   -9.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9888   -7.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3925   -9.7868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1249   -5.9524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7086   -4.7886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7205   -5.2433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0674   -3.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5983   -9.7957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  5  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  1 10  1  1  0  0  0
  5 11  1  1  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
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  4 21  1  0  0  0  0
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 24  1  1  0  0  0  0
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 21 29  1  1  0  0  0
 27 30  1  1  0  0  0
  9 31  1  6  0  0  0
 12 32  1  6  0  0  0
  2 33  1  6     0  0
 16 34  2  0     0  0
 24 35  1  6     0  0
M  END
> <LM_ID>
LMST01031391

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3beta,7alpha,12alpha-trihydroxy-cholest-5(6),9(11),24(28)-trien

> <FORMULA>
C28H44O3

> <MASS>
428.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
24-methylene-cholest-5,9(11)-dien-3beta,7alpha,12alpha-triol

> <INCHI_KEY>
WAHXWNCAGCMVCB-KUAZOROTSA-N

> <INCHI>
InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)21-9-10-22-26-23(15-25(31)28(21,22)6)27(5)12-11-20(29)13-19(27)14-24(26)30/h14-16,18,20-22,24-26,29-31H,3,7-13H2,1-2,4-6H3/t18-,20+,21-,22+,24-,25+,26+,27+,28-/m1/s1

> <SMILES>
[C@]12([C@H](O)C=C3C[C@@H](O)CC[C@]3(C)C1=C[C@H](O)[C@]1(C)[C@@]([H])([C@@](C)([H])CCC(=C)C(C)C)CC[C@@]21[H])[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3122587

> <CITATION>
42524205

$$$$