LMST01010249
  LIPID_MAPS_STRUCTURE_DATABASE

 33 37  0  0  0  0  0  0  0  0999 V2000
    9.0746    6.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0700    8.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3594    8.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3668    7.2045    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7884    8.0332    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7856    7.2119    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2071    7.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2098    8.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5007    8.4438    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7624    8.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4918    9.2424    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1990    9.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5016   10.0475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8917    9.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5873    9.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2800    9.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9754    9.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7845    6.4139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2800    8.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6603    6.7977    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6603    5.9811    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3668    5.5742    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0746    5.9811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9582    7.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2563    6.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2563    5.9872    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9582    5.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6603    7.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2010    8.7540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8662    9.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3668    6.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6337    5.2475    0.0000 O   0  0  0  0  0  0  0  0  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
  5 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  1  0  0  0
 12 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
  6 18  1  6  0  0  0
 16 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  1  2  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 21  1  0  0  0  0
 20 28  1  1  0  0  0
 26 29  1  1  0  0  0
  9 30  1  6  0  0  0
 11 31  1  6  0  0  0
  4 32  1  6  0  0  0
 21 33  1  6  0  0  0
 22 33  1  6  0  0  0
M  END
> <LM_ID>
LMST01010249

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,6alpha-epoxy-cholest-7-en-3beta,9alpha-diol 

> <FORMULA>
C27H44O3

> <MASS>
416.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QIPMNTFZFUFTDE-BCBAPGJRSA-N

> <INCHI>
InChI=1S/C27H44O3/c1-17(2)7-6-8-18(3)20-9-10-21-22-15-23-27(30-23)16-19(28)11-12-25(27,5)26(22,29)14-13-24(20,21)4/h15,17-21,23,28-29H,6-14,16H2,1-5H3/t18-,19+,20-,21+,23+,24-,25-,26-,27+/m1/s1

> <SMILES>
C12=C[C@@H]3O[C@]43C[C@@H](O)CC[C@]4(C)[C@@]1(O)CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C)C)CC[C@@]21[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931297

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
20121089

$$$$