LMST02030165
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
    8.4646    9.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627    8.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627   10.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966   10.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8796    9.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4674    9.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5985    8.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5985    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307    8.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307    9.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307    6.8606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966    9.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966    8.3607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9286    9.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9286    8.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9286   10.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9286   11.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0136   12.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8796   11.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7457   12.1696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8796   10.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7457   11.1697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
  9 11  1  0  0  0  0
 11  2  1  0  0  0  0
  2 15  1  0  0  0  0
 19 13  1  0  0  0  0
 13 15  1  0  0  0  0
 15 17  1  0  0  0  0
 17  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 21  1  0  0  0  0
 19  4  1  0  0  0  0
  6 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
 21  7  1  0  0  0  0
 23 21  1  0  0  0  0
 28 23  1  0  0  0  0
 28  8  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  1  0  0  0
 11 12  1  1  0  0  0
 13 14  1  1  0  0  0
 15 16  1  1  0  0  0
 17 18  2  0  0  0  0
 19 20  1  6  0  0  0
 21 22  1  6  0  0  0
 23 24  1  1  0  0  0
 28 26  1  0  0  0  0
 26 25  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  6  0  0  0
M  END
> <LM_ID>
LMST02030165

> <COMMON_NAME>
poststerone

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

> <FORMULA>
C21H30O5

> <MASS>
362.21

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Poststerone

> <INCHI_KEY>
VNLQNGYIXVTQRR-NQPIQAHSSA-N

> <INCHI>
InChI=1S/C21H30O5/c1-11(22)12-5-7-21(26)14-8-16(23)15-9-17(24)18(25)10-19(15,2)13(14)4-6-20(12,21)3/h8,12-13,15,17-18,24-26H,4-7,9-10H2,1-3H3/t12-,13+,15+,17-,18+,19-,20-,21-/m1/s1

> <SMILES>
C1[C@@]2(C)[C@]([H])(C(=O)C=C3[C@]2([H])CC[C@]2(C)[C@@]([H])(C(=O)C)CC[C@@]32O)C[C@@H](O)[C@H]1O

> <KEGG_ID>
C08837

> <HMDB_ID>
-

> <CHEBI_ID>
27709

> <ABBREVIATION>
ST 21:3;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
441835

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2152776

> <CITATION>
5496441

$$$$