LMST02030252
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0     0  0            999 V2000
    7.1750   -5.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0410   -6.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0410   -7.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1750   -7.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3090   -7.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3090   -6.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9071   -5.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7731   -6.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7731   -7.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9071   -7.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9070   -4.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7730   -4.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6391   -4.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6391   -5.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5051   -4.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3712   -4.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3713   -5.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6391   -7.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0784   -6.4319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5051   -3.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0897   -5.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6512   -3.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4430   -7.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7853   -5.4538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9192   -6.4212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6053   -6.4908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6390   -2.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5769   -7.2250    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  1  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  1  0     0  0
 10  3  2  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
  9 18  2  0     0  0
 17 19  2  0     0  0
 15 20  2  0     0  0
  2 21  1  1     0  0
 13 22  1  1     0  0
  5 23  1  1     0  0
  8 24  1  1     0  0
  7 25  1  6     0  0
 14 26  1  6     0  0
 20 27  1  0     0  0
 23 28  1  0     0  0
M  END
> <LM_ID>
LMST02030252

> <COMMON_NAME>
Bixasteroid

> <SYSTEMATIC_NAME>
3beta-methoxy-pregn-5,17(20)-diene-7,16-dione

> <FORMULA>
C22H30O3

> <MASS>
342.22

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
8R,9S,10R,13S,14S-pregna-3S-methoxy-5,17(20)-diene-7,16-dione

> <INCHI_KEY>
VSWRTQBIMPWPLR-ZGKGBVMASA-N

> <INCHI>
InChI=1S/C22H30O3/c1-5-13-11-18(24)20-19-16(7-9-22(13,20)3)21(2)8-6-15(25-4)10-14(21)12-17(19)23/h5,12,15-16,19-20H,6-11H2,1-4H3/b13-5-/t15-,16-,19-,20-,21-,22+/m0/s1

> <SMILES>
C1C[C@H](OC)CC2=CC(=O)[C@@]3([H])[C@]4([H])C(=O)C/C(=C/C)/[C@@]4(C)CC[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 22:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119388

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
66672

> <CITATION>
34507510

$$$$