LMST01031251
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
    8.2851    8.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3342    7.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3342    6.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2851    6.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2358    6.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1867    6.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1376    6.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1376    7.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1867    8.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2358    7.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1867    9.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1376    9.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0884    9.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0884    8.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9905    8.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9905    9.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0396    9.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0884   10.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2358    8.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0396   10.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1453   11.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8003   11.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5610   10.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3217   11.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0822   10.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8430   11.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6554   10.3513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0396   11.8108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6538    6.3091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3201   12.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1124    8.5564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1660    7.4252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0884    7.6990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2358    5.6913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2852    5.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3199    9.9472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0822    9.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5611    9.8743    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  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
  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 27  1  6  0  0  0
 20 28  1  1  0  0  0
  3 29  1  1  0  0  0
 24 30  1  6  0  0  0
  8 31  1  1  0  0  0
  9 32  1  6  0  0  0
 14 33  1  6  0  0  0
  5 34  1  6     0  0
  4 35  1  6     0  0
 11 36  1  1     0  0
 25 37  1  0     0  0
 23 38  1  0     0  0
M  END
> <LM_ID>
LMST01031251

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
4alpha,23-Dimethyl-5alpha-ergosta-22E-ene-3beta,8beta,11beta-triol

> <FORMULA>
C30H52O3

> <MASS>
460.39

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PJTIQGJYYUVZGJ-LIUMCWOGSA-N

> <INCHI>
InChI=1S/C30H52O3/c1-17(2)20(5)18(3)15-19(4)22-9-10-26-29(22,8)16-25(32)27-28(7)13-12-24(31)21(6)23(28)11-14-30(26,27)33/h15,17,19-27,31-33H,9-14,16H2,1-8H3/b18-15+/t19-,20-,21+,22-,23+,24+,25+,26-,27-,28+,29-,30-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@]([H])([C@]([H])(C)/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 30:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
132529879

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2641924

> <CITATION>
35031429

$$$$