LMST05020022
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
   12.8900    8.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8847   10.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0334   10.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0421    9.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7450   10.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7415    9.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4441    9.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4475   10.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5979   10.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8874    9.7517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7139   11.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7406    8.3279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1961    8.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1961    7.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0421    7.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8900    7.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3554    9.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5148    8.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5148    7.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3554    7.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0421    8.3041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6013   11.7297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6742    7.3314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7034    7.3314    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7034    8.3022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7034    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.3314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1961    9.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2906   10.7424    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
  6 12  1  6  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16  1  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  1  0  0  0  0
  4 21  1  6  0  0  0
  9 22  2  0  0  0  0
 19 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 13 28  1  1  0  0  0
  8 29  1  6  0  0  0
M  END
> <LM_ID>
LMST05020022

> <COMMON_NAME>
3b,16a-Dihydroxyandrostenone sulfate

> <SYSTEMATIC_NAME>
3b,16a-Dihydroxy-5-androsten-17-one 3-sulfate

> <FORMULA>
C19H28O6S

> <MASS>
384.16

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Sulfates [ST0502]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ALBNSVAJDFJRKQ-DNKQKWOHSA-N

> <INCHI>
InChI=1S/C19H28O6S/c1-18-7-5-12(25-26(22,23)24)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)21/h3,12-16,20H,4-10H2,1-2H3,(H,22,23,24)/t12-,13+,14-,15-,16+,18-,19-/m0/s1

> <SMILES>
[C@]12(CC=C3C[C@@H](OS(O)(=O)=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)[C@H](O)C[C@@]21[H])[H]

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0062611

> <CHEBI_ID>
87774

> <ABBREVIATION>
ST 19:2;O3;S

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
20848951

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Sterol Lipids [ST]

> <ALT_MAIN_CLASSES>
Steroids [ST02]

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

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$