LMST01010490
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    8.1502    8.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2148    7.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2148    6.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1502    6.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0854    6.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0209    6.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9563    6.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9563    7.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0209    8.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0854    7.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0209    9.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9563    9.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8916    9.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8916    8.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7628    8.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7628    9.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8273    9.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8916   10.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0854    8.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8273   10.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5454    6.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9315    8.4171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0005    7.5237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8916    7.5737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0209    5.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0854    5.6173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1503    9.2128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1549    9.7930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3183   10.1329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6933   11.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9613   11.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5593   10.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4254   11.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2914   10.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1574   11.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2914    9.6972    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
  4  5  1  0  0  0  0
  5  6  1  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
  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
  3 21  1  1  0  0  0
  8 22  1  1  0  0  0
  9 23  1  6  0  0  0
 14 24  1  6  0  0  0
  6 25  2  0     0  0
  5 26  1  6     0  0
  1 27  1  1     0  0
 11 28  1  1     0  0
 17 29  1  6     0  0
 20 30  1  0     0  0
 20 31  1  6     0  0
 30 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 34 36  1  0     0  0
M  END
> <LM_ID>
LMST01010490

> <COMMON_NAME>
Menellsteroid E

> <SYSTEMATIC_NAME>
1beta,3beta,5alpha,11beta-tetrahydroxycholestan-6-one

> <FORMULA>
C27H46O5

> <MASS>
450.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VHCYJFKVLONIKQ-QVGUAEFPSA-N

> <INCHI>
InChI=1S/C27H46O5/c1-15(2)7-6-8-16(3)19-9-10-20-18-12-23(31)27(32)13-17(28)11-22(30)26(27,5)24(18)21(29)14-25(19,20)4/h15-22,24,28-30,32H,6-14H2,1-5H3/t16-,17+,18+,19-,20+,21+,22-,24-,25-,26-,27+/m1/s1

> <SMILES>
[C@H]1(O)[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@]([H])([C@H](C)CCCC(C)C)CC[C@@]4([H])[C@]3([H])CC(=O)[C@@]2(O)C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:1;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163114385

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
287932

> <CITATION>
35031429

$$$$