LMST02030318
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0     0  0            999 V2000
    6.3369  -10.5892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8662   -6.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6656   -7.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6875   -9.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6875   -8.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6918   -6.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6918   -7.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2636   -8.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6589   -8.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9572  -10.9261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2379  -10.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2379   -9.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1081  -10.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8664  -11.5330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9828   -8.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1081   -8.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9916  -10.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7624   -6.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8837  -10.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8664   -7.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9916   -9.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7495  -10.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8750   -8.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7668   -9.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3688   -8.5544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8750   -9.2928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8260   -6.0826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1434   -5.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  6  0  0  0
 12 25  1  1     0  0
  3  2  1  1  0  0  0
  5  4  1  6  0  0  0
  7  6  1  1  0  0  0
  9  8  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7  5  1  0  0  0  0
  3  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 10  1  1  0  0  0
 17 13  1  0  0  0  0
 19 17  1  0  0  0  0
 19 14  2  0  0  0  0
 20 18  1  0  0  0  0
 21 15  1  1  0  0  0
 21 16  1  0  0  0  0
 21 17  1  0  0  0  0
  7 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  2  0  0  0  0
 24 23  1  0  0  0  0
 24  5  1  0  0  0  0
 23 26  1  6     0  0
  2 27  2  0     0  0
  2 28  1  0     0  0
M  END
> <LM_ID>
LMST02030318

> <COMMON_NAME>
3-epi-posterone

> <SYSTEMATIC_NAME>
2beta,3alpha,14alpha-trihydroxy-5β-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>


> <INCHI_KEY>
VNLQNGYIXVTQRR-YJXCLCGISA-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>
O[C@H]1C[C@@]2([C@@]([C@]3([H])C([C@]4([C@](CC3)([C@H](CC4)C(C)=O)C)O)=CC2=O)(C[C@@H]1O)C)[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 21:3;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101642414

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
65004

> <CITATION>
17226485

$$$$