LMST02030347
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0  0  0  0  0  0  0  0999 V2000
   12.0795   -3.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2134   -3.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3474   -3.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4814   -3.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6153   -2.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4814   -1.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3474   -2.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0795   -0.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2134   -1.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2134   -2.5391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9455   -2.5391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0795   -2.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0795   -1.0392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6153   -3.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7493   -3.5391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2134   -0.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3474   -1.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9455    0.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4844   -1.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8966   -1.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9455   -1.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9455   -0.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8966   -0.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2056    0.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5365    1.4640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1838    0.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3474   -0.0392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2134   -4.5390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  0  0  0  0
 12  9  1  0  0  0  0
 12 21  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 14  1  0  0  0  0
 14  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  9 16  1  0  0  0  0
 16  8  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  6  0  0  0
 21 11  1  6  0  0  0
 12 13  1  1  0  0  0
 14 15  2  0  0  0  0
  7 17  1  1  0  0  0
 22 18  1  1  0  0  0
 23 24  1  1  0  0  0
 24 26  1  0  0  0  0
 24 25  2  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 19  1  0  0  0  0
 23 22  1  0  0  0  0
 16 27  2  0     0  0
  2 28  1  1     0  0
M  END
> <LM_ID>
LMST02030347

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
6beta-hydroxypregn-4-ene-3,11,20-trione

> <FORMULA>
C21H28O4

> <MASS>
344.20

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OQHBUJSFKDUFCW-VTPSHUEJSA-N

> <INCHI>
InChI=1S/C21H28O4/c1-11(22)14-4-5-15-13-9-17(24)16-8-12(23)6-7-20(16,2)19(13)18(25)10-21(14,15)3/h8,13-15,17,19,24H,4-7,9-10H2,1-3H3/t13-,14+,15-,17+,19+,20-,21+/m0/s1

> <SMILES>
C1[C@@H](O)C2[C@@](C)([C@@]3([H])C(=O)C[C@@]4([C@H](CC[C@@]4([H])[C@]13[H])C(=O)C)C)CCC(=O)C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 21:4;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
222800

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
4830

> <CITATION>
23985409

$$$$