LMST02020010
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    7.8455    8.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9415    7.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9415    6.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8455    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7497    6.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6541    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5585    6.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5585    7.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6541    8.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7497    7.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6541    9.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5585   10.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4626    9.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4626    8.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2710    8.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2710    9.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3669   10.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4626   10.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7497    8.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3669   10.7835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2362    6.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    6.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5585    8.8145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6344    7.5708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4626    7.6388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1333   10.4576    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  2  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
  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
 17 20  1  1  0  0  0
  7 21  1  1  0  0  0
  3 22  2  0  0  0  0
  8 23  1  1  0  0  0
  9 24  1  6  0  0  0
 14 25  1  6  0  0  0
 17 26  1  6  0  0  0
M  END
> <LM_ID>
LMST02020010

> <COMMON_NAME>
Calusterone

> <SYSTEMATIC_NAME>
17beta-hydroxy-7beta,17-dimethylandrost-4-en-3-one

> <FORMULA>
C21H32O2

> <MASS>
316.24

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

> <SUB_CLASS>
C19 steroids (androgens) and derivatives [ST0202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IVFYLRMMHVYGJH-PVPPCFLZSA-N

> <INCHI>
InChI=1S/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16-,17-,18+,19-,20-,21-/m0/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@](C)(O)CC[C@@]4([H])[C@]3([H])[C@@H](C)CC2=CC(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB04627

> <CHEBI_ID>
135356

> <ABBREVIATION>
ST 21:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
28204

> <LIPIDBANK_ID>
SST0035

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
5078927

$$$$