LMST02030178
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0     0  0            999 V2000
    8.8926    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6247    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6247    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0296    9.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417    9.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7587   10.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926   10.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0265    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0265    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1606    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1606    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    7.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6247    9.8606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4906   10.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4906   11.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4906    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926    9.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6247   10.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4906    8.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1738   10.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3077   12.1696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0397   11.1696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3077   11.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417   10.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417   11.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7587    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7587    8.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7587    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7587    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 18  1  1  0  0  0
  1  2  1  0  0  0  0
  2 10  2  0  0  0  0
 29  2  1  0  0  0  0
  3 29  1  0  0  0  0
 27  1  1  0  0  0  0
 27  7  1  0  0  0  0
  4 27  1  0  0  0  0
  4  3  1  0  0  0  0
 17  4  1  0  0  0  0
  4 14  1  1  0  0  0
 25  5  1  0  0  0  0
  5  6  1  0  0  0  0
 17  6  1  0  0  0  0
  7 19  1  0  0  0  0
  7  8  1  1  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 15 25  1  0  0  0  0
 17 15  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  1  1  0  0  0
 17 20  1  6  0  0  0
 25 24  1  0  0  0  0
 24 21  1  0  0  0  0
 21 23  1  0  0  0  0
 24 22  2  0  0  0  0
 25 26  1  6  0  0  0
 27 28  1  6  0  0  0
 29 30  1  6  0  0  0
M  END
> <LM_ID>
LMST02030178

> <COMMON_NAME>
6alpha-methylprednisolone

> <SYSTEMATIC_NAME>
11beta,17,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione

> <FORMULA>
C22H30O5

> <MASS>
374.21

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(6alpha,11beta)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione; 1-dehydro-6alpha-methylhydrocortisone; 6alpha-methyl-11beta,17alpha,21-triol-1,4-pregnadiene-3,20-dione; Delta(1)-6alpha-methylhydrocortisone; Methylprednisolone

> <INCHI_KEY>
VHRSUDSXCMQTMA-PJHHCJLFSA-N

> <INCHI>
InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1

> <SMILES>
[C@]12([C@]3([H])[C@]([H])([C@@]4([H])[C@](C)(C[C@@H]3O)[C@@](O)(C(=O)CO)CC4)C[C@H](C)C1=CC(=O)C=C2)C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0015094

> <CHEBI_ID>
6888

> <ABBREVIATION>
ST 22:4;O5

> <CAYMAN_ID>
15013

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6741

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$