LMST03020667
  LIPID_MAPS_STRUCTURE_DATABASE

 33 35  0     0  0            999 V2000
    7.5959    7.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5959    6.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3293    6.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3293    7.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625    8.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625    9.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3293    9.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3293   10.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1960   11.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1960   12.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3293   12.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   12.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   11.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1479   11.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7361   11.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1479   12.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1960   13.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1479   13.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0109   14.1658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2811   14.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8778   13.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7444   14.1658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6111   13.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4778   14.1658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6111   12.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1960   10.3558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0145   13.1670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4778   13.1650    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.1925    8.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1925    6.3627    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1479   14.6682    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  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 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  9  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 11 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  6  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
 24 26  1  0  0  0  0
 10 27  1  6  0  0  0
 17 28  1  6  0  0  0
 24 29  1  0  0  0  0
  5 30  2  0  0  0  0
  2 31  1  6  0  0  0
  4 32  1  6  0  0  0
 19 33  1  1  0  0  0
M  END
> <LM_ID>
LMST03020667

> <COMMON_NAME>
1alpha,25-Difluorovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1R,3R)-1,25-difluoro-9,10-seco-5,7,10(19)-cholestatriene-3-ol

> <FORMULA>
C27H42OF2

> <MASS>
420.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZCOQGKODTOOFPT-PEJFXWBPSA-N

> <INCHI>
InChI=1S/C27H42F2O/c1-18(8-6-14-26(3,4)29)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(30)17-25(28)19(21)2/h10-11,18,22-25,30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25-,27-/m1/s1

> <SMILES>
C1/C(=C/C=C2\CCC[C@]3(C)[C@@]([H])([C@]([H])(C)CCCC(F)(C)C)CC[C@@]\23[H])/C(=C)[C@H](F)C[C@@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24779643

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$