LMST03020077
  LIPID_MAPS_STRUCTURE_DATABASE

 37 39  0     0  0            999 V2000
    9.2583    6.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3708    6.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4834    6.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4834    7.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3708    8.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3708    9.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2273    9.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2273   10.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3708   11.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2583    7.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3708   12.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2273   12.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0834   12.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0834   11.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7962   11.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7962   12.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9399   12.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0834   13.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    6.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0834   10.7057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9399   13.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7961   14.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9399   14.9173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9849   14.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7848   14.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7736   14.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7623   14.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6186   14.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7623   13.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6186   13.9286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1146    8.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6186   12.9399    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.9060   12.9399    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.7623   12.4454    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.4749   14.4230    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.6186   15.9060    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.4749   15.4117    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  2  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
  3 19  1  6  0  0  0
 14 20  1  6  0  0  0
 17 21  1  0  0  0  0
 22 21  1  0  0  0  0
 21 23  1  1  0  0  0
 21 24  1  6  0  0  0
 22 25  1  0  0  0  0
 25 26  3  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 10 31  2  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
 29 34  1  0  0  0  0
 28 35  1  0  0  0  0
 28 36  1  0  0  0  0
 28 37  1  0  0  0  0
M  END
> <LM_ID>
LMST03020077

> <COMMON_NAME>
26,26,26,27,27,27-hexafluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(3S)-26,26,26,27,27,27-hexafluoro-9,10-seco-5,7,10(19),16-cholestatetraen-23-yne-3,25-diol

> <FORMULA>
C27H32O2F6

> <MASS>
502.23

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
26,26,26,27,27,27-hexafluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrocholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547329

> <LIPIDBANK_ID>
VVD0083

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020077

$$$$