LMST02030339
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
   12.0912   -8.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0912   -7.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3591   -8.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2252   -9.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2252   -7.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3591   -7.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6271   -7.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6271   -8.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4932   -9.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4932   -7.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0912   -5.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2252   -6.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9083   -7.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4961   -6.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9083   -6.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2173   -5.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7611   -9.4391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2252   -8.4391    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0912   -6.9391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9572   -6.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9572   -5.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9572   -7.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9572   -8.4391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3591   -6.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1956   -4.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5482   -4.4359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3592   -5.9391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4962   -6.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8146   -5.7076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5046   -4.0201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 22  2  1  0  0  0  0
  2 19  1  1  0  0  0
  9  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  2  5  1  0  0  0  0
  5 12  1  0  0  0  0
  5 18  1  6  0  0  0
  6  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6 24  1  1  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
  8 17  2  0  0  0  0
 20 11  1  0  0  0  0
 11 12  1  0  0  0  0
 22 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 20 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 26  2  0  0  0  0
 16 25  1  0  0  0  0
 22 20  1  0  0  0  0
 20 21  1  1  0  0  0
 22 23  1  6  0  0  0
 12 27  1  1     0  0
 14 28  1  6     0  0
 15 29  1  6     0  0
 25 30  1  0     0  0
M  END
> <LM_ID>
LMST02030339

> <COMMON_NAME>
Dexamethasone

> <SYSTEMATIC_NAME>
9alpha-Fluoro-11beta,17alpha,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione

> <FORMULA>
C22H29O5F

> <MASS>
392.20

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
16-alpha-Methyl-9-alpha-fluoro-delta1-hydrocortisone

> <INCHI_KEY>
UREBDLICKHMUKA-CXSFZGCWSA-N

> <INCHI>
InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1

> <SMILES>
C1CC2[C@](C)(C=CC(=O)C=2)[C@@]2(F)[C@@H](O)C[C@@]3(C)[C@@]([H])(C[C@@H](C)[C@]3(O)C(CO)=O)[C@]12[H]

> <KEGG_ID>
C15643

> <HMDB_ID>
-

> <CHEBI_ID>
41879

> <ABBREVIATION>
-

> <CAYMAN_ID>
11015

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5743

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$