LMST02030297
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
   10.5771   -9.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5714   -7.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7228   -8.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7313   -9.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4295   -8.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4262   -9.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1237   -9.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1274   -8.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2800   -7.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3985   -7.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695   -6.9089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8876   -9.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8876  -10.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7313  -11.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5771  -10.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0493   -9.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2110   -9.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2110  -10.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0493  -11.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8876   -8.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3726  -11.2805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1141   -6.4212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4249   -6.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7313  -10.3179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4262  -10.3089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5771   -8.8533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1247   -7.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8782   -7.8752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4250   -5.4212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8876  -11.6288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5325   -6.8087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0     0  0
  1  6  1  0     0  0
  5  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  5  6  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9  5  1  0     0  0
  6  7  1  0     0  0
  5 10  1  1     0  0
  9 11  1  1     0  0
  4 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15  1  1  0     0  0
 12 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 13  1  0     0  0
 12 20  1  1     0  0
 18 21  2  0     0  0
 11 22  2  0     0  0
 11 23  1  0     0  0
  4 24  1  6     0  0
  6 25  1  6     0  0
  1 26  1  1     0  0
  9 27  1  6     0  0
  3 28  1  1     0  0
 23 29  1  0     0  0
 13 30  1  1     0  0
 10 31  2  0     0  0
M  END
> <LM_ID>
LMST02030297

> <COMMON_NAME>
18-oxo-dihydrocortisol

> <SYSTEMATIC_NAME>
5beta-Pregnane-11beta,17alpha,21-triol-3,20-dione-18-al

> <FORMULA>
C21H30O6

> <MASS>
378.20

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
11beta,17,21-Trihydroxy-3,20-dioxo-5beta-pregnan-18-al

> <INCHI_KEY>
BTTLJNRZXYMCBD-RYZABUCPSA-N

> <INCHI>
InChI=1S/C21H30O6/c1-19-6-4-13(24)8-12(19)2-3-14-15-5-7-21(27,17(26)10-22)20(15,11-23)9-16(25)18(14)19/h11-12,14-16,18,22,25,27H,2-10H2,1H3/t12-,14+,15+,16+,18-,19+,20-,21+/m1/s1

> <SMILES>
[C@@]12([H])CC[C@]3([H])CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@]1(C=O)[C@@](O)(C(CO)=O)CC[C@@]21[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 21:3;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118802

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$