LMST04030081
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    8.3597    8.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4112    8.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4112    6.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3597    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3083    6.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2568    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2055    6.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2055    8.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2568    8.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3083    8.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2568    9.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2055   10.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1539    9.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1539    8.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0511    8.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0511    9.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1026   10.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1539   10.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3083    8.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1026   11.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2106   11.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8614   11.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6202   11.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3791   11.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1377   11.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8967   11.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1377   10.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7168   10.5490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1026   12.0049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9165    6.3943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5205   11.0948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2055    8.9348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2360    7.6302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1539    7.7015    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
 26 32  1  0  0  0  0
  8 33  1  1  0  0  0
  9 34  1  6  0  0  0
 14 35  1  6  0  0  0
M  END
> <LM_ID>
LMST04030081

> <COMMON_NAME>
7alpha,27-dihydroxycholesterol

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

> <FORMULA>
C27H46O3

> <MASS>
418.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
7alpha,26-dihydroxycholesterol

> <INCHI_KEY>
RXMHNAKZMGJANZ-DTTSCKGMSA-N

> <INCHI>
InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,28-30H,5-14,16H2,1-4H3/t17?,18-,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(C)CO)CC[C@@]4([H])[C@]3([H])[C@H](O)C=C2C[C@@H](O)C1

> <KEGG_ID>
C06341

> <HMDB_ID>
HMDB0006281

> <CHEBI_ID>
18431

> <ABBREVIATION>
ST 27:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
440985

> <LIPIDBANK_ID>
BBA0402

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
2072042

$$$$