LMST04030083
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    6.8984    7.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1149    6.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1149    5.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8984    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6819    5.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4654    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2490    5.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2490    6.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4654    7.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6819    6.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4654    7.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2490    8.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0323    7.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0323    7.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5995    7.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5995    7.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8160    8.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0323    8.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6819    7.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8160    9.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792    9.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4428    9.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0696    9.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6964    9.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3230    9.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9499    9.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3230    8.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3233    8.7071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8160    9.9097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.3765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8363    5.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9514    8.6643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4652    9.1580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2490    7.3737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4482    6.2961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0323    6.3550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 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
 25 27  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 20 21  1  6  0  0  0
 17 28  1  6  0  0  0
 20 29  1  1  0  0  0
  3 30  1  1  0  0  0
  7 31  1  6  0  0  0
 25 32  1  0  0  0  0
 26 33  1  0  0  0  0
  8 34  1  1  0  0  0
  9 35  1  6  0  0  0
 14 36  1  6  0  0  0
M  END
> <LM_ID>
LMST04030083

> <COMMON_NAME>
7alpha,25,27-trihydroxycholesterol

> <SYSTEMATIC_NAME>
5-Cholestene-3beta,7alpha,25,26-tetrol

> <FORMULA>
C27H46O4

> <MASS>
434.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C27 bile acids, alcohols, and derivatives [ST0403]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JGEBMCVWDISKRI-NIYNOAIZSA-N

> <INCHI>
InChI=1S/C27H46O4/c1-17(6-5-11-25(2,31)16-28)20-7-8-21-24-22(10-13-27(20,21)4)26(3)12-9-19(29)14-18(26)15-23(24)30/h15,17,19-24,28-31H,5-14,16H2,1-4H3/t17-,19+,20-,21+,22+,23-,24+,25?,26+,27-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(O)(C)CO)CC[C@@]4([H])[C@]3([H])[C@H](O)C=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187570

> <ABBREVIATION>
ST 27:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284248

> <LIPIDBANK_ID>
BBA0405

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$