LMST03020209
  LIPID_MAPS_STRUCTURE_DATABASE

 33 35  0     0  0            999 V2000
    8.8472    6.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9609    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0746    6.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0746    7.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9609    8.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9609    9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8162    9.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8162   10.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9609   11.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8472    7.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9609   12.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8162   12.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6714   12.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6714   11.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3819   11.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3819   12.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5266   12.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6714   13.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6714   10.7002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2767   13.3646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5266   13.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3818   14.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2370   13.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0922   14.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9473   13.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8026   14.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9473   12.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5266   14.9065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5728   14.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2196    6.3785    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7024    8.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8026   13.4253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7024    6.3785    0.0000 O   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
 14 19  1  6  0  0  0
 17 20  1  6  0  0  0
 17 21  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 25 27  1  0  0  0  0
 21 28  1  1  0  0  0
 21 29  1  6  0  0  0
  3 30  1  6  0  0  0
 10 31  2  0  0  0  0
 25 32  1  0  0  0  0
  1 33  1  1  0  0  0
M  END
> <LM_ID>
LMST03020209

> <COMMON_NAME>
1alpha-fluoro-25-hydrovitamin D3

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

> <FORMULA>
C27H43O2F

> <MASS>
418.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha-fluoro-25-hydrocholecalciferol

> <INCHI_KEY>
IIFRAZKORDLBOY-NKMMMXOESA-N

> <INCHI>
InChI=1S/C27H43FO2/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,29-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547420

> <LIPIDBANK_ID>
VVD0227

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$