LMST03020140
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0     0  0            999 V2000
    9.3612    6.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4746    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5880    6.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5880    7.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4746    8.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4746    9.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3302    9.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3302   10.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4746   11.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3612    7.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4746   12.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3302   12.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1856   12.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1856   11.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8968   11.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8968   12.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0412   12.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1856   13.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1856   10.7017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7914   13.3671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0412   13.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8966   14.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7522   13.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6077   14.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4631   13.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3186   14.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4631   12.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0412   14.9095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0871   14.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2166    8.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3186   13.4278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2583   13.0662    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.2461   13.0662    0.0000 F   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
 23 33  1  0  0  0  0
 23 34  1  0  0  0  0
M  END
> <LM_ID>
LMST03020140

> <COMMON_NAME>
23,23-difluoro-25-hydroxyvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(3S)-23,23-difluoro-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol

> <FORMULA>
C27H42O2F2

> <MASS>
436.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
23,23-difluoro-25-hydroxycholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
173061

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547385

> <LIPIDBANK_ID>
VVD0158

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020140

$$$$