LMST02030249
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
    5.3000   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1660   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1660   -6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000   -6.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4340   -6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4340   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0321   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8981   -5.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8981   -6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0321   -6.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0320   -3.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8980   -3.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7641   -3.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7641   -4.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6301   -3.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4962   -3.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4963   -4.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6301   -2.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4961   -1.7997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7640   -1.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0321   -7.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0321   -5.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680   -4.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680   -6.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1660   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1289   -7.1212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8729   -5.6158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6149   -3.1261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7641   -2.7999    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  2  0     0  0
  9 10  1  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
 15 18  1  0     0  0
 18 19  2  0     0  0
 18 20  1  0     0  0
 10 21  2  0     0  0
  7 22  1  6     0  0
  6 23  1  1     0  0
  5 24  1  1     0  0
  2 25  1  1     0  0
  3 26  1  1     0  0
 14 27  1  1     0  0
 15 28  1  1     0  0
 13 29  1  1     0  0
M  END
> <LM_ID>
LMST02030249

> <COMMON_NAME>
14beta,17alpha-14-Deoxypoststerone

> <SYSTEMATIC_NAME>
2beta,3beta-dihydroxy-5beta,14beta-pregn-7-ene-6,20-dione

> <FORMULA>
C21H30O4

> <MASS>
346.21

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OGEJBBPFFLOZKJ-ANYXFMRHSA-N

> <INCHI>
InChI=1S/C21H30O4/c1-11(22)13-4-5-14-12-8-17(23)16-9-18(24)19(25)10-21(16,3)15(12)6-7-20(13,14)2/h8,13-16,18-19,24-25H,4-7,9-10H2,1-3H3/t13-,14+,15-,16-,18+,19-,20+,21+/m0/s1

> <SMILES>
C1[C@H](O)[C@H](O)C[C@@]2([H])C(=O)C=C3[C@@]4([H])CC[C@@]([H])(C(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 21:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118786

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1503182

> <CITATION>
34143640

$$$$