LMST01010621
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    8.6404    9.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610    8.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610    8.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6404    7.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5196    8.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3638    7.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2430    8.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2430    9.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3638    9.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5196    8.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3638   10.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2430   11.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0871   10.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0871    9.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8106    9.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8106   10.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9664   11.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0871   11.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5196    9.9837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9664   12.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0871   12.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8459   12.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6897   12.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5689   12.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4131   11.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4131   10.9681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2922   12.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5569   11.4041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3638    6.5016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819    7.4863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4943    7.2472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1077    8.7377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8983    9.5045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9664   13.0234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8547   13.5156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5929   13.5154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 17 13  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  1  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
  8 14  1  0  0  0  0
 10  9  1  0  0  0  0
  8  9  1  0  0  0  0
 11  9  2  0  0  0  0
  7  8  2  0  0  0  0
  5 10  1  0  0  0  0
 10 19  1  1  0  0  0
  1 10  1  0  0  0  0
 16 17  1  0  0  0  0
 20 17  1  0  0  0  0
 17 28  1  6  0  0  0
 11 12  1  0  0  0  0
 16 15  1  0  0  0  0
  6  7  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  5 31  1  1  0  0  0
 22 20  1  0  0  0  0
 20 21  1  6  0  0  0
  2  1  1  0  0  0  0
 22 23  1  0  0  0  0
 24 23  1  0  0  0  0
  3  4  1  0  0  0  0
 25 24  1  0  0  0  0
 27 25  1  0  0  0  0
 26 25  1  0  0  0  0
  3  2  1  0  0  0  0
  3 30  1  1  0  0  0
  6 29  2  0  0  0  0
 14 32  1  6     0  0
  2 33  1  1     0  0
 20 34  1  1     0  0
 22 35  1  6     0  0
 24 36  1  0     0  0
M  END
> <LM_ID>
LMST01010621

> <COMMON_NAME>
24-hydroxy-kaladasterone

> <SYSTEMATIC_NAME>
2beta,3beta,5beta,14alpha,20R,22R-24-hepta-hydroxy-cholest-7,9(11)-dien-6-one

> <FORMULA>
C27H42O8

> <MASS>
494.29

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JZWSJQWOSOCCNG-UXABPGJFSA-N

> <INCHI>
InChI=1S/C27H42O8/c1-14(2)17(28)11-21(31)25(5,33)20-7-9-26(34)16-10-22(32)27(35)13-19(30)18(29)12-24(27,4)15(16)6-8-23(20,26)3/h6,10,14,17-21,28-31,33-35H,7-9,11-13H2,1-5H3/t17?,18-,19+,20-,21+,23+,24+,25+,26+,27+/m0/s1

> <SMILES>
C1[C@H](O)[C@H](O)C[C@@]2(O)C(=O)C=C3C(=CC[C@]4([C@@]3(O)CC[C@]4([H])[C@](O)(C)[C@H](O)CC(O)C(C)C)C)[C@]21C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:3;O8

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
167584

> <CITATION>
38945493

$$$$