LMST01031384
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0  0  0  0  0  0  0  0999 V2000
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    9.9055   -7.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6227   -6.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6192   -7.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3361   -7.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3396   -6.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4829   -5.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7578   -6.9449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5913   -5.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4722   -4.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3264   -4.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4842   -3.9921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1630   -4.9669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0522   -8.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2045   -7.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3566   -7.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3288   -5.5547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7165   -4.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9055   -8.4049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0066   -3.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4874   -9.3842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1393   -9.8995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9050  -10.3946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1595   -5.9665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7606   -8.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7054   -5.4725    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  1  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
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  9 12  1  0  0  0  0
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 27 22  1  0  0  0  0
 21 28  1  1  0  0  0
  9 29  1  6  0  0  0
 12 30  1  6  0  0  0
  4 31  1  6  0  0  0
 16 32  2  0     0  0
 26 33  1  6     0  0
 13 34  1  1     0  0
 22 35  1  6     0  0
 23 36  2  0     0  0
 15 37  1  1     0  0
 38  1  1  0  0  0  0
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M  END
> <LM_ID>
LMST01031384

> <COMMON_NAME>
2-Deoxy-25-Methyldolichosterone

> <SYSTEMATIC_NAME>
3alpha,22R,23R-Trihydroxy-25-methyl-5alpha-ergost-24(28)-en-6-one

> <FORMULA>
C29H48O4

> <MASS>
460.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VWEHHIHNZFXYIU-DFEYTUJKSA-N

> <INCHI>
InChI=1S/C29H48O4/c1-16(25(32)26(33)17(2)27(3,4)5)20-8-9-21-19-15-24(31)23-14-18(30)10-12-29(23,7)22(19)11-13-28(20,21)6/h16,18-23,25-26,30,32-33H,2,8-15H2,1,3-7H3/t16-,18+,19-,20+,21-,22-,23+,25+,26+,28+,29+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:2;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14607938

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3885

> <CITATION>
-

$$$$