LMST03020215
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0     0  0            999 V2000
    9.3611    6.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4745    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5879    6.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5879    7.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4745    8.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4745    9.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3301    9.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3301   10.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4745   11.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3611    7.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4745   12.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3301   12.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1855   12.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1855   11.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8966   11.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8966   12.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0411   12.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1855   13.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1855   10.7016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7914   13.3669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0411   13.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8966   14.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7521   13.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6075   14.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4630   13.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3185   14.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4630   12.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0411   14.9093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0870   14.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2165    6.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3185   13.4277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3777    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
  3 30  1  6  0  0  0
  1 31  1  1  0  0  0
 25 32  1  0  0  0  0
  4 33  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <LM_ID>
LMST03020215

> <COMMON_NAME>
(5E,10E)-19-fluoro-1alpha,25-dihydroxyvitamin D3

> <SYSTEMATIC_NAME>
(5E,7E,10E)-(1S,3R)-19-fluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

> <FORMULA>
C27H43O3F

> <MASS>
434.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(5E,10E)-19-fluoro-1alpha,25-dihydroxycholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547426

> <LIPIDBANK_ID>
VVD0233

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020215

$$$$