LMST01030127
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
   11.1018    8.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0962   10.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2140    9.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2230    8.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9878    9.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9842    8.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7484    8.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7521    9.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8716   10.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0988    9.1558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9555   10.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8607   11.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7385   11.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8729   12.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5981   11.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4615   11.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3213   11.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1845   11.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9830    7.6802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3213   10.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3461    8.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3461    7.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2230    6.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1018    7.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750    8.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6038    8.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6038    7.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750    6.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3461    9.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.6475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7409   10.5844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0841   11.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2230    7.6554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7385   12.5265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5981   10.4620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4615   12.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3461    6.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8639    8.5834    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  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
  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
 17 20  1  0  0  0  0
  4 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  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
  9 31  1  6  0  0  0
 12 32  1  6  0  0  0
  4 33  1  6  0  0  0
 13 34  1  1  0  0  0
 15 35  1  1  0  0  0
 16 36  1  1  0  0  0
 22 37  1  6  0  0  0
 27 30  1  6  0  0  0
 26 38  1  6  0  0  0
M  END
> <LM_ID>
LMST01030127

> <COMMON_NAME>
6-Deoxocastasterone

> <SYSTEMATIC_NAME>
campestan-2alpha,3alpha,22R,23R-tetrol

> <FORMULA>
C28H50O4

> <MASS>
450.37

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2alpha,3alpha,22R,23R-tetra-hydroxy-24S-methyl-5alpha-cholestane

> <INCHI_KEY>
VXBLCLVRWCLEOX-BFYSZXNBSA-N

> <INCHI>
InChI=1S/C28H50O4/c1-15(2)16(3)25(31)26(32)17(4)20-9-10-21-19-8-7-18-13-23(29)24(30)14-28(18,6)22(19)11-12-27(20,21)5/h15-26,29-32H,7-14H2,1-6H3/t16-,17-,18-,19-,20+,21-,22-,23-,24+,25+,26+,27+,28-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033984

> <CHEBI_ID>
20712

> <ABBREVIATION>
ST 28:0;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13870433

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3885

> <CITATION>
-

$$$$