LMST03020090
  LIPID_MAPS_STRUCTURE_DATABASE

 40 42  0     0  0            999 V2000
    9.2753    6.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3818    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4886    6.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4886    7.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3818    8.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3818    9.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2439    9.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2439   10.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3818   11.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2753    7.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3818   12.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2439   12.9837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1058   12.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1058   11.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8299   11.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8299   12.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9680   12.9837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1058   13.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0311    8.3444    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
   10.1058   10.7347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7239   13.4202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9680   13.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8299   14.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9680   14.9744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0065   14.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6919   13.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5539   14.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4159   13.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2778   14.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4159   12.9837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1397   13.9791    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.2778   15.4720    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.1397   14.9744    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.2778   12.4862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.5539   12.4862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.4159   11.9885    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.1371    6.3788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2778   13.4814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6919   12.9837    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
 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
 23 25  1  1  0  0  0
 23 26  1  6  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
 31 35  1  0  0  0  0
 31 36  1  0  0  0  0
 31 37  1  0  0  0  0
  1 38  1  1  0  0  0
 29 39  1  0  0  0  0
 27 40  1  1  0  0  0
M  END
> <LM_ID>
LMST03020090

> <COMMON_NAME>
(23S)-26,26,26,27,27,27-hexafluoro-1alpha,23,25-trihydroxyvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R,23S)-26,26,26,27,27,27-hexafluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,23,25-tetrol

> <FORMULA>
C27H38O4F6

> <MASS>
540.27

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(23S)-26,26,26,27,27,27-hexafluoro-1alpha,23,25-trihydroxycholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547340

> <LIPIDBANK_ID>
VVD0100

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020090

$$$$