LMST02030254
  LIPID_MAPS_STRUCTURE_DATABASE

 28 32  0     0  0            999 V2000
    4.4750   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3410   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3410   -5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750   -5.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6090   -5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6090   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2071   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0731   -4.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0731   -5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2071   -5.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2070   -2.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0730   -2.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9391   -2.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9391   -3.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8051   -2.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6712   -2.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6713   -3.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7430   -5.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3410   -3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0262   -1.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0730   -1.2249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0731   -3.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2071   -4.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1980   -4.6908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6712   -1.7247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6315   -1.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3975   -0.5972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6918   -0.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10  3  1  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  8  1  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 14 17  1  0     0  0
  5 18  2  0     0  0
  2 19  1  1     0  0
 13 20  1  1     0  0
 12 21  1  1     0  0
  8 22  1  1     0  0
  7 23  1  6     0  0
 14 24  1  6     0  0
 16 25  1  6     0  0
 15 25  1  6     0  0
 15 26  1  0     0  0
 26 27  2  0     0  0
 26 28  1  0     0  0
M  END
> <LM_ID>
LMST02030254

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
16alpha,17alpha-epoxy-12beta-hydroxypregna-4,6-diene-3,20-dione

> <FORMULA>
C21H26O4

> <MASS>
342.18

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(12R, 16R, 17S)-16,17-epoxy-12-hydroxypregna-4,6- diene-3,20-dione

> <INCHI_KEY>
UEKBPJOUDFFTMZ-LYWOIHLFSA-N

> <INCHI>
InChI=1S/C21H26O4/c1-11(22)21-18(25-21)10-16-14-5-4-12-8-13(23)6-7-19(12,2)15(14)9-17(24)20(16,21)3/h4-5,8,14-18,24H,6-7,9-10H2,1-3H3/t14-,15+,16+,17-,18-,19+,20-,21-/m1/s1

> <SMILES>
C1CC(=O)C=C2C=C[C@@]3([H])[C@]4([H])C[C@H]5O[C@@]5(C(C)=O)[C@@]4(C)[C@H](O)C[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 21:5;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118647

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
62092

> <CITATION>
-

$$$$