LMST04030157
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    9.3920    7.4543    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3920    6.6466    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9629    6.6466    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6930    6.2427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2561    6.2427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1765    7.7029    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9629    7.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1765    6.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6502    7.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6930    5.4117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2561    5.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9629    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1765    8.5572    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3920    8.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2555    7.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5493    6.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6133    8.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9066    8.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5493    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4231    9.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8270    6.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8270    5.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3998    5.8154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7007    7.0659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9629    5.8154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8988    8.1145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0425    8.6115    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.0425    7.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.0249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3783    5.0249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3201    9.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6930    7.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7492    9.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4642    8.6260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  6  1  0  0  0  0
  1 32  1  0  0  0  0
  1 14  1  1  0  0  0
  4  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2 23  1  6  0  0  0
  3  7  1  0  0  0  0
  5  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  6  0  0  0
  4 10  1  0  0  0  0
  4 24  1  1  0  0  0
 11  5  1  0  0  0  0
  5 15  1  1  0  0  0
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 26  1  6  0  0  0
  7 32  1  0  0  0  0
  9  8  1  0  0  0  0
 10 12  1  0  0  0  0
 11 19  2  0  0  0  0
 11 12  1  0  0  0  0
 13 18  1  0  0  0  0
 13 20  1  6  0  0  0
 21 16  1  0  0  0  0
 18 17  1  0  0  0  0
 31 17  1  0  0  0  0
 22 19  1  0  0  0  0
 27 31  1  0  0  0  0
 22 21  1  0  0  0  0
 28 27  1  0  0  0  0
 33 27  1  0  0  0  0
 22 29  2  0  0  0  0
 10 30  1  6  0  0  0
 33 34  1  0  0  0  0
M  END
> <LM_ID>
LMST04030157

> <COMMON_NAME>
7alpha,26-dihydroxycholest-4-en-3-one

> <SYSTEMATIC_NAME>
7alpha,26-dihydroxycholest-4-en-3-one

> <FORMULA>
C27H44O3

> <MASS>
416.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4-cholesten-7alpha,26-diol-3-one

> <INCHI_KEY>
KVJVJJWIEXCECB-GWUAJDSISA-N

> <INCHI>
InChI=1S/C27H44O3/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/h14,17-18,21-25,28,30H,5-13,15-16H2,1-4H3/t17?,18-,21-,22+,23+,24-,25+,26+,27-/m1/s1

> <SMILES>
[C@]12(C)CC[C@@]3([H])[C@@]([H])([C@H](O)CC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2([H])[C@H](C)CCCC(CO)C

> <KEGG_ID>
C17336

> <HMDB_ID>
-

> <CHEBI_ID>
48825

> <ABBREVIATION>
ST 27:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
193396

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$