LMST01010144
  LIPID_MAPS_STRUCTURE_DATABASE

 41 44  0  0  0  0  0  0  0  0999 V2000
    9.0862    6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0817    8.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3686    7.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3759    6.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8024    7.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7995    6.8907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2257    6.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2286    7.7097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5170    8.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0839    7.2829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7764    8.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5081    8.9277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2176    9.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5180    9.7357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9126    8.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6105    9.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3055    8.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7986    6.0901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6671    6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6671    5.6558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3759    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0862    5.6558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9629    6.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2586    6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2586    5.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9629    5.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6671    7.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2197    8.4377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8803    9.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3759    6.0701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9178    8.5677    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   11.2176   10.1437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0097    9.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0097   10.1408    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   14.7138    9.7343    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   14.7138    8.9212    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   13.3055    8.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0096    7.7015    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   13.3055    7.2950    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   12.6014    7.7015    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38 41  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  5  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  1 10  1  1  0  0  0
  5 11  1  1  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 38  1  0  0  0  0
  6 18  1  6  0  0  0
 17 34  1  0  0  0  0
  4 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22  1  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 20  1  0  0  0  0
 19 27  1  1  0  0  0
 25 28  1  1  0  0  0
  9 29  1  6  0  0  0
 12 30  1  0  0  0  0
  4 31  1  6  0  0  0
 17 32  1  0  0  0  0
 13 33  1  6  0  0  0
M  END
> <LM_ID>
LMST01010144

> <COMMON_NAME>
22R-hydroxycholesterol(d7)

> <SYSTEMATIC_NAME>
cholest-5-en-3beta,22R-diol(d7)

> <FORMULA>
C27H39D7O2

> <MASS>
409.39

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RZPAXNJLEKLXNO-VBPFJDFISA-N

> <INCHI>
InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1/i1D3,2D3,17D

> <SMILES>
[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])[C@H](O)CCC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])CC[C@@]21[H])[H]

> <KEGG_ID>
C05502

> <HMDB_ID>
HMDB04035

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608391

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$