LMST01010318
  LIPID_MAPS_STRUCTURE_DATABASE

 34 38  0     0  0            999 V2000
    8.4364    9.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5284    8.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5284    7.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4364    7.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1594    7.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3442    8.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2516   10.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1594   11.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0668   10.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0668    9.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8822    9.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8822   10.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9746   11.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0668   11.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9869    9.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9746   11.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1211   12.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7008   12.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4268   11.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1529   12.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0668    8.6915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5625   11.4162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9746   12.8094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1594    8.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3442    7.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2516    7.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3442    6.8847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2516    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2516    9.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5105   10.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8789   10.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8789   11.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7864   12.4392    0.0000 C   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
 26  4  1  0  0  0  0
 26 27  1  0  0  0  0
 27  5  1  0  0  0  0
 25  5  2  0  0  0  0
 30 25  1  0  0  0  0
 30  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  0  0  0  0
 13 16  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 33  1  0  0  0  0
  6  1  1  0  0  0  0
 26  6  1  0  0  0  0
  6 30  1  0  0  0  0
 25 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  1  0  0  0
  6 15  1  1  0  0  0
 16 17  1  0  0  0  0
 10 21  1  6  0  0  0
 13 22  1  6  0  0  0
 16 23  1  1  0  0  0
  3 24  1  1  0  0  0
 26 28  1  6  0  0  0
 27 29  1  1  0  0  0
 30 31  1  6  0  0  0
  7 31  1  6  0  0  0
 33 32  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <LM_ID>
LMST01010318

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
9alpha,11alpha-epoxycholest-7-en-3beta,5alpha,6beta-triol

> <FORMULA>
C27H44O4

> <MASS>
432.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HJWIFUYWCCWKOA-QGRYAOFKSA-N

> <INCHI>
InChI=1S/C27H44O4/c1-16(2)7-6-8-17(3)19-9-10-20-21-13-22(29)26(30)14-18(28)11-12-25(26,5)27(21)23(31-27)15-24(19,20)4/h13,16-20,22-23,28-30H,6-12,14-15H2,1-5H3/t17-,18+,19-,20+,22-,23-,24-,25+,26+,27+/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]34O[C@@H]3C[C@]3(C)[C@@]([H])([C@]([H])(C)CCCC(C)C)CC[C@@]3([H])C4=C[C@@H](O)[C@@]2(O)C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:2;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11327943

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
146727

> <CITATION>
-

$$$$