LMST01010201
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    8.4962    8.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6208    7.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6208    6.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4962    6.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3439    6.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2101    6.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3439    7.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2101    9.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0954    9.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9430    9.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9430    8.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8937    8.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4585    8.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8937    9.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9430   10.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3439    8.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9430    7.3721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7697   10.1594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2101    8.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2101    7.3798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0282   11.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0954    7.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0954    8.8989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0954    6.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6249   10.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4903   11.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3558   10.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3558    9.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7593   11.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2214   11.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8937   10.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8937   11.6954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11 10  1  0  0  0  0
 14 10  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  1  0  0  0
 23 11  1  0  0  0  0
 12 11  1  0  0  0  0
 11 17  1  6  0  0  0
  8 20  1  0  0  0  0
  7 20  1  0  0  0  0
 23 20  1  0  0  0  0
 25 23  1  0  0  0  0
  5  7  1  0  0  0  0
  7 16  1  1  0  0  0
  1  7  1  0  0  0  0
 13 14  1  0  0  0  0
 32 14  1  0  0  0  0
 14 18  1  6  0  0  0
  8  9  1  0  0  0  0
 13 12  1  0  0  0  0
  6 25  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  3  2  1  0  0  0  0
  3 19  1  1  0  0  0
 20 21  1  6  0  0  0
 32 22  1  6  0  0  0
 23 24  1  1  0  0  0
 30 26  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 31 28  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
> <LM_ID>
LMST01010201

> <COMMON_NAME>
20S-hydroxycholesterol

> <SYSTEMATIC_NAME>
cholest-5-en-3beta,20S-diol

> <FORMULA>
C27H46O2

> <MASS>
402.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(20S)-20-Hydroxycholesterol; 20beta-Hydroxycholesterol; 20(S)-OHC

> <INCHI_KEY>
MCKLJFJEQRYRQT-APGJSSKUSA-N

> <INCHI>
InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1

> <SMILES>
C1C[C@H](O)CC2=CC[C@]3([H])[C@@]([H])([C@]21C)CC[C@]1(C)[C@@]([H])([C@@](O)(CCCC(C)C)C)CC[C@]13[H]

> <KEGG_ID>
C05500

> <HMDB_ID>
-

> <CHEBI_ID>
1296

> <ABBREVIATION>
ST 27:1;O2

> <CAYMAN_ID>
20103

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
121935

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$