LMST03010011
  LIPID_MAPS_STRUCTURE_DATABASE

 35 37  0     0  0            999 V2000
    9.2736    6.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3808    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4880    6.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4880    7.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3808    8.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3808    9.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2424    9.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2424   10.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3808   11.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2736    7.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3808   12.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2424   12.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1037   12.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1037   11.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8267   11.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8267   12.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9653   12.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1037   13.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0290    8.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.4399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1037   10.7319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7207   13.4157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9653   13.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8266   14.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6881   13.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5495   14.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4109   13.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2723   14.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4109   12.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9653   14.9688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0045   14.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2723   13.4768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1350    6.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0522   15.3329    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.0469   15.3329    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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  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
  1 10  1  0  0  0  0
  5 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  2  0  0  0  0
  3 20  1  6  0  0  0
 14 21  1  6  0  0  0
 17 22  1  6  0  0  0
 17 23  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 27 29  1  0  0  0  0
 23 30  1  1  0  0  0
 23 31  1  6  0  0  0
 27 32  1  0  0  0  0
  1 33  1  1  0  0  0
 26 34  1  1  0  0  0
 26 35  1  6  0  0  0
M  END
> <LM_ID>
LMST03010011

> <COMMON_NAME>
(24R)-24-fluoro-1alpha,25-dihydroxyvitamin D2

> <SYSTEMATIC_NAME>
(5Z,7E,22E)-(1S,3R,24R)-24-fluoro-9,10-seco-5,7,10(19),22-ergostatetraene-1,3,25-triol

> <FORMULA>
C28H43O3F

> <MASS>
446.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D2 and derivatives [ST0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(24R)-24-fluoro-1alpha,25-dihydroxyergocalciferol

> <INCHI_KEY>
NYQPKLHIAIIMRX-ABEKVIRTSA-N

> <INCHI>
InChI=1S/C28H43FO3/c1-18(13-15-28(6,29)26(3,4)32)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(30)17-25(31)19(21)2/h9-10,13,15,18,22-25,30-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9+,21-10-/t18-,22-,23-,24+,25+,27-,28-/m1/s1

> <SMILES>
[C@@H]1(O)C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]([C@@](C)([H])/C=C/[C@@](C)(F)C(O)(C)C)([H])[C@@]3(C)CCC\2)/C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547227

> <LIPIDBANK_ID>
VVD0348

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
8049243

$$$$