LMST03020078
  LIPID_MAPS_STRUCTURE_DATABASE

 38 40  0     0  0            999 V2000
    9.2592    6.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3714    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4838    6.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4838    7.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3714    8.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3714    9.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2280    9.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2280   10.9637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3714   11.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2592    7.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3714   12.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2280   12.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0845   12.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0845   11.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7977   11.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7977   12.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9412   12.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0845   13.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.4394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0845   10.7071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9412   13.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7977   14.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9412   14.9199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9858   14.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7867   14.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7758   14.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7648   14.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6212   14.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7648   13.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6212   13.9309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1155    8.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6212   12.9418    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.9083   12.9418    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.7648   12.4474    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.4779   14.4254    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.6212   15.9090    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.4779   15.4145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.1157    6.3786    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  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
  1 38  1  1  0  0  0
M  END
> <LM_ID>
LMST03020078

> <COMMON_NAME>
26,26,26,27,27,27-hexafluoro-1alpha,25-dihydroxy-16,17,23,23,24,24-hexadehydrovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-26,26,26,27,27,27-hexafluoro-9,10-seco-5,7,10(19),16-cholestatetraen-23-yne-1,3,25-triol

> <FORMULA>
C27H32O3F6

> <MASS>
518.23

> <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-1alpha,25-dihydroxy-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>
9547330

> <LIPIDBANK_ID>
VVD0084

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020078

$$$$