LMST02030229
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.1128   -0.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1128   -1.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9781   -2.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8435   -1.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8435   -0.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9781   -0.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7089   -2.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5742   -1.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5742   -0.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7089   -0.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4397   -0.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4397    0.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5742    1.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7089    0.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3901   -0.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9775    0.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3901    1.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2474   -2.0831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5441    1.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6989    2.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7089   -1.0838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8435    0.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5742    0.4152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5441   -1.0782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6763    2.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9851    3.3321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3139    1.4410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0302    2.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8339   -2.6561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8434    1.4145    0.0000 O   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
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 10  1  0     0  0
 11 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 12  1  0     0  0
  2 18  1  6     0  0
 12 19  1  1     0  0
 17 20  1  0     0  0
 10 21  1  6     0  0
  5 22  1  1     0  0
  9 23  1  1     0  0
 11 24  1  6     0  0
 25 20  1  0     0  0
 26 25  1  0     0  0
 17 27  1  6     0  0
 20 28  1  6     0  0
  4 29  1  1     0  0
 14 30  1  1     0  0
M  END
> <LM_ID>
LMST02030229

> <COMMON_NAME>
beta-Cortol

> <SYSTEMATIC_NAME>
5beta-Pregnane-3alpha,11beta,17,20R,21-pentol

> <FORMULA>
C21H36O5

> <MASS>
368.26

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FFPUNPBUZDTHJI-ZFOKFBPFSA-N

> <INCHI>
InChI=1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17-,18-,19+,20+,21+/m1/s1

> <SMILES>
C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@](O)([C@H](O)CO)CC[C@@]4([H])[C@]3([H])CC[C@]2([H])C[C@@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0005821

> <CHEBI_ID>
89257

> <ABBREVIATION>
ST 21:0;O5

> <CAYMAN_ID>
33412

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
246164

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606; 9606

> <CITATION>
13825604; 13233247

$$$$