LMST02030170
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0  0  0  0  0  0  0  0999 V2000
    8.0510    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7654    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3365    6.0725    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6220    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7654    8.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2645    7.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0510    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9076    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7495    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9076    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3365    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0510    7.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0510    6.4850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    7.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4799    6.4850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7654    6.8975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7654    7.7225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3365    6.8975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3365    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    8.1350    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4799    8.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2645    8.3900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2749    9.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4781    9.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8947    9.7702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 14  1  1  0  0  0  0
 18 16  1  0  0  0  0
 18  2  1  0  0  0  0
 20  3  1  0  0  0  0
 20  4  1  0  0  0  0
  1  5  1  0  0  0  0
 16 22  1  0  0  0  0
 16  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
 22 24  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
  3  7  1  0  0  0  0
  5 22  1  0  0  0  0
  9 11  1  0  0  0  0
 24 10  1  0  0  0  0
  3 13  1  6  0  0  0
 14 15  1  6  0  0  0
 16 17  1  6  0  0  0
 18 19  1  1  0  0  0
 20 21  1  1  0  0  0
 22 23  1  1  0  0  0
 24 26  1  1  0  0  0
 26 25  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
> <LM_ID>
LMST02030170

> <COMMON_NAME>
5alpha-pregnane-3,20-dione

> <SYSTEMATIC_NAME>
5alpha-pregnane-3,20-dione

> <FORMULA>
C21H32O2

> <MASS>
316.24

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3,20-allopregnanedione; 3,20-dioxo-5alpha-pregnane; 5-alpha-dihydroprogesterone; 5alpha-Pregnane-3,20-dione; 5alpha-dihydroprogesterone

> <INCHI_KEY>
XMRPGKVKISIQBV-BJMCWZGWSA-N

> <INCHI>
InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21+/m0/s1

> <SMILES>
C1C[C@]2(C)[C@@H](C(=O)C)CC[C@@]2([H])[C@]2([H])CC[C@@]3([H])CC(CC[C@]3(C)[C@]21[H])=O

> <KEGG_ID>
C03681

> <HMDB_ID>
HMDB0003759

> <CHEBI_ID>
28952

> <ABBREVIATION>
ST 21:2;O2

> <CAYMAN_ID>
31505

> <SWISSLIPIDS_ID>
SLM:000485382

> <PUBCHEM_COMPOUND_ID>
92810

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$