LMST01031390
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
   11.2407  -13.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2351  -11.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3588  -12.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3677  -13.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1208  -12.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1172  -13.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8699  -13.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8735  -12.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9989  -11.9492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2379  -12.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0888  -11.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9880  -10.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600  -10.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0002   -9.9718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7141  -10.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5716  -10.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4257  -10.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2833  -10.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1926  -14.1203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4257  -11.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4967  -13.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4967  -14.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3677  -15.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2407  -14.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6313  -13.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7658  -13.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7658  -14.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6313  -15.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4967  -12.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9004  -15.4777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6328  -11.6434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2165  -10.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5222  -15.7765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2284  -10.9343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5753   -9.4554    0.0000 C   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
 12 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6 19  1  6  0  0  0
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  4 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24  1  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 22  1  0  0  0  0
 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 34  1  6     0  0
 16 35  2  0     0  0
 22 33  1  6     0  0
M  END
> <LM_ID>
LMST01031390

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3beta,5alpha,12alpha-trihydroxy-cholest-6(7),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-6,9(11)-dien-3beta,5alpha,12alpha-triol

> <INCHI_KEY>
XVWBGLOVLXVJBU-BWVRBOCWSA-N

> <INCHI>
InChI=1S/C28H44O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-12-14-28(31)16-20(29)11-13-26(28,5)24(21)15-25(30)27(22,23)6/h12,14-15,17,19-23,25,29-31H,3,7-11,13,16H2,1-2,4-6H3/t19-,20+,21+,22-,23+,25+,26-,27-,28-/m1/s1

> <SMILES>
[C@]12(C=C[C@@]3(O)C[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

$$$$