LMST03020676
  LIPID_MAPS_STRUCTURE_DATABASE

 36 38  0     0  0            999 V2000
    9.3289   10.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1955   11.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1955   12.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3289   12.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4624   12.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4624   11.3598    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   12.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1955   13.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1471   13.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0102   14.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8768   13.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7434   14.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6100   13.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3289    9.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2841   14.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4766   14.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6100   12.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4624    9.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4624    8.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5957    7.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5957    6.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4624    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3289    6.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3289    7.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0138   13.1700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1955   10.3592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1919    8.3599    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
   13.0358   14.8762    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.4510   14.8762    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.4766   13.1680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3431   13.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4766   12.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1471   14.6710    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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  3 10  1  1  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
  1 16  2  0  0  0  0
 11 17  1  6  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 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
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
  9 27  1  6  0  0  0
  2 28  1  6  0  0  0
 26 29  2  0  0  0  0
 23 30  1  6  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 11 36  1  1  0  0  0
M  END
> <LM_ID>
LMST03020676

> <COMMON_NAME>
24,24-Difluoro-25-hydroxy-26,27-dimethylvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(3S)-24,24-difluoro-26,27-dimethyl-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol

> <FORMULA>
C29H46O2F2

> <MASS>
464.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NATOOCTZNLKFIB-GAVYVFBZSA-N

> <INCHI>
InChI=1S/C29H46F2O2/c1-6-28(33,7-2)29(30,31)18-16-21(4)25-14-15-26-22(9-8-17-27(25,26)5)11-12-23-19-24(32)13-10-20(23)3/h11-12,21,24-26,32-33H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12-/t21-,24+,25-,26+,27-/m1/s1

> <SMILES>
C1(=C/C=C2\C(=C)CC[C@H](O)C\2)/CCC[C@]2(C)[C@@]([H])([C@]([H])(C)CCC(F)(F)C(O)(CC)CC)CC[C@@]/12[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13960169

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
2153815

$$$$