LMST02030150
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0  0  0  0  0  0  0  0999 V2000
    8.7655    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    5.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3365    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220    5.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9075    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3365    6.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7655    7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7495    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2646    6.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    6.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0509    5.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    6.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4799    5.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7655    6.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7655    7.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    7.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2646    7.7300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9075    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2646    8.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3365    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9791    8.1425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9791    8.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 15  1  1  0  0  0  0
 15 11  1  0  0  0  0
 15 13  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4 19  1  0  0  0  0
 19  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
 11 21  1  0  0  0  0
 21  8  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 13  1  0  0  0  0
 18  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  6  0  0  0
 13 14  1  6  0  0  0
 15 16  1  1  0  0  0
 18 25  1  6  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
  7 23  1  1  0  0  0
 17 24  1  1  0  0  0
 22 26  1  0  0  0  0
M  END
> <LM_ID>
LMST02030150

> <COMMON_NAME>
pregn-4-en-3-one

> <SYSTEMATIC_NAME>
pregn-4-en-3-one

> <FORMULA>
C21H32O

> <MASS>
300.25

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AYGFEWYXKDFVIQ-NWSAAYAGSA-N

> <INCHI>
InChI=1S/C21H32O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h13-14,17-19H,4-12H2,1-3H3/t14-,17-,18-,19-,20+,21-/m0/s1

> <SMILES>
C1CC2[C@@](C)([C@@]3([H])CC[C@@]4(C)[C@@]([H])(CC[C@@]4(CC)[H])[C@]13[H])CCC(=O)C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
36725

> <ABBREVIATION>
ST 21:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10902673

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$