LMST03020647
  LIPID_MAPS_STRUCTURE_DATABASE

 35 37  0     0  0            999 V2000
    8.4622   12.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4622   11.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3288   10.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1954   11.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1954   12.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3288   12.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1471   11.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7353   11.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1471   12.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3288    9.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1471   13.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0137   14.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2841   14.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1954   13.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8804   13.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7469   14.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4622    9.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4622    8.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5957    7.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5957    6.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4622    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3288    6.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3288    7.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1919    6.3626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6136   13.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4801   14.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6136   12.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1954   10.3591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0394   14.8783    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.4546   14.8783    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.3433   13.6724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4801   13.1701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1471   14.6711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0137   13.1701    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
  4  7  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
  3 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  6  0  0  0
  5 14  1  1  0  0  0
 12 15  1  0  0  0  0
 16 15  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 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 18  1  0  0  0  0
 20 24  1  6  0  0  0
 22 25  1  1  0  0  0
 16 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
  4 29  1  6  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 27 32  1  0  0  0  0
 26 33  1  0  0  0  0
 11 34  1  1  0  0  0
  9 35  1  6  0  0  0
M  END
> <LM_ID>
LMST03020647

> <COMMON_NAME>
24,24-Difluoro-1,25,26-trihydroxyvitamin D3

> <SYSTEMATIC_NAME>
(7E)-(1R,3R)-24,24-difluoro-19-nor-9,10-seco-5,7-cholestadiene-1,3,25,26-tetrol

> <FORMULA>
C26H42O4F2

> <MASS>
456.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NVLXCHQJLPXKLB-AKYQOPFMSA-N

> <INCHI>
InChI=1S/C26H42F2O4/c1-17(10-12-26(27,28)25(3,32)16-29)22-8-9-23-19(5-4-11-24(22,23)2)7-6-18-13-20(30)15-21(31)14-18/h6-7,17,20-23,29-32H,4-5,8-16H2,1-3H3/b19-7+/t17-,20-,21-,22-,23+,24-,25?/m1/s1

> <SMILES>
C1C[C@]2(C)[C@@]([H])([C@]([H])(C)CCC(F)(F)C(O)(C)CO)CC[C@@]2([H])/C(=C/C=C2\C[C@@H](O)C[C@H](O)C\2)/C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184671

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24779638

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$