LMST03020138
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0     0  0            999 V2000
    9.3613    6.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4748    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5881    6.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5881    7.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4748    8.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4748    9.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3303    9.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3303   10.9581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4748   11.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3613    7.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4748   12.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3303   12.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1857   12.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1857   11.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8969   11.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8969   12.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0413   12.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1857   13.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1857   10.7018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7916   13.3672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0413   13.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8969   14.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7524   13.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6078   14.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4633   13.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3188   14.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4633   12.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0413   14.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0873   14.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2168    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    6.3786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167    6.3786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    8.3903    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    7.4024    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
 10 30  2  0  0  0  0
  3 31  1  1  0  0  0
  1 32  1  1  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
M  END
> <LM_ID>
LMST03020138

> <COMMON_NAME>
4,4-difluoro-1alpha-hydroxyvitamin D3

> <SYSTEMATIC_NAME>
(5E,7E)-(1S,3S)-4,4-difluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol

> <FORMULA>
C27H42O2F2

> <MASS>
436.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4,4-difluoro-1alpha-hydroxycholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
137764

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547383

> <LIPIDBANK_ID>
VVD0156

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020138

$$$$