LMST03020084
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0     0  0            999 V2000
    9.2543    6.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3682    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4823    6.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4823    7.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3682    8.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3682    9.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2233    9.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2233   10.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3682   11.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2543    7.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3682   12.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2233   12.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0780   12.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0780   11.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7880   11.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7880   12.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9331   12.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0780   13.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0780   10.6986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9331   13.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7879   14.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9331   14.9034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9796   14.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7750   14.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7622   14.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7492   14.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6041   14.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7492   13.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6041   13.9162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1089    8.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1089    6.3785    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
  1 32  1  1  0  0  0
M  END
> <LM_ID>
LMST03020084

> <COMMON_NAME>
1alpha-fluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3

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

> <FORMULA>
C27H37O2F

> <MASS>
412.28

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha-fluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrocholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
191264

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547335

> <LIPIDBANK_ID>
VVD0094

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020084

$$$$