LMST02030287
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
   13.3584   -7.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3531   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5062   -5.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939   -6.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2304   -5.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2266   -6.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9627   -6.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9661   -5.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1001   -5.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1986   -4.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1032   -4.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9530   -3.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7989   -4.0507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2258   -7.5026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6312   -7.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6312   -8.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939   -8.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3584   -8.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7738   -6.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9169   -7.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9169   -8.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7738   -8.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6312   -6.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4464   -3.6656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1269   -8.4798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939   -7.5015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6406   -5.0248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3557   -6.0506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6060   -8.7628    0.0000 H   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
  5 10  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6 14  1  6  0  0  0
  4 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
 18  1  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 16  1  0  0  0  0
 15 23  1  1  0  0  0
 11 24  2  0  0  0  0
 21 25  1  6  0  0  0
  4 26  1  6  0  0  0
  9 11  1  1  0  0  0
  3 27  2  0     0  0
  1 28  1  1  0  0  0
 16 29  1  6     0  0
M  END
> <LM_ID>
LMST02030287

> <COMMON_NAME>
Alfadolone

> <SYSTEMATIC_NAME>
3alpha,21-dihydroxy-5alpha-pregnane-11,20-dione

> <FORMULA>
C21H32O4

> <MASS>
348.23

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

> <SUB_CLASS>
C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5alpha-pregnan-3alpha,21-diol-11,20-dione

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9798416

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST02030287

$$$$