LMST01030131
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0  0  0  0  0  0  0  0999 V2000
    8.7987    7.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7941    8.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0661    8.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0735    7.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5299    8.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5269    7.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9829    7.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9859    8.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2594    8.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7963    8.0194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5033    9.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2503    9.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9747   10.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2605   10.5235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6843    9.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3967   10.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1062    9.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8186   10.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5260    6.8016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1062    8.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3499    7.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3499    6.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0735    5.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7987    6.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6310    7.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9120    7.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9120    6.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6310    5.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3499    8.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.9494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9768    9.1984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6095   10.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0735    6.7812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9747   10.8011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6843    9.0974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3967   10.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3499    5.7127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0735    5.2475    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
 23 38  2  0  0  0  0
 27 30  2  0  0  0  0
M  END
> <LM_ID>
LMST01030131

> <COMMON_NAME>
3-Dehydroteasterone

> <SYSTEMATIC_NAME>
3,6-dioxo-campestan-22R,23R-diol

> <FORMULA>
C28H46O4

> <MASS>
446.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SVBMASFUJDIDJC-XFJIFGBKSA-N

> <INCHI>
InChI=1S/C28H46O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-17,19-23,25-26,31-32H,7-14H2,1-6H3/t16-,17-,19-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1

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

> <CHEBI_ID>
20000

> <ABBREVIATION>
ST 28:2;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14353979

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$