LMST03020403
  LIPID_MAPS_STRUCTURE_DATABASE

 37 39  0     0  0            999 V2000
    9.3636    6.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4762    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5888    6.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5888    7.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4762    8.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4762    9.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3326    9.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3326   10.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4762   11.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3636    7.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4762   12.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3326   12.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1888   12.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1888   11.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9015   11.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9015   12.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0452   12.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1888   13.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1888   10.7058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7962   13.3736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0452   13.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9014   14.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7578   13.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6140   14.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4702   13.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3266   14.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4702   12.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0452   14.9175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0901   14.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2198    8.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2198    6.3786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3266   13.4344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1197   15.2795    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.1084   15.2795    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.1828   13.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3266   12.4456    0.0000 C   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
 10 31  2  0  0  0  0
  1 32  1  1  0  0  0
 25 33  1  0  0  0  0
 24 34  1  0  0  0  0
 24 35  1  0  0  0  0
 26 36  1  0  0  0  0
 27 37  1  0  0  0  0
M  END
> <LM_ID>
LMST03020403

> <COMMON_NAME>
24,24-difluoro-1alpha,25-dihydroxy-26,27-dimethylvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-24,24-difluoro-26,27-dimethyl-9,10-seco-5,7,10(19)-cholestatrien-1,3,25-triol

> <FORMULA>
C29H46O3F2

> <MASS>
480.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
24,24-difluoro-1alpha,25-dihydroxy-26,27-dimethylcholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
182991

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547511

> <LIPIDBANK_ID>
VVD0487

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020403

$$$$