LMST03020146
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    8.9203    6.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0347    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1491    6.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1491    7.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0347    8.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0347    9.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8893    9.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8893   10.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0347   11.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9203    7.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0347   12.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8893   12.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7439   12.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7439   11.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4532   11.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4532   12.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5985   12.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7439   13.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7439   10.6971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3480   13.3596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5985   13.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4531   14.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5985   14.9003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6454   14.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3077   13.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1623   14.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0168   13.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8714   14.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0168   12.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8714   13.4202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7749    6.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1801    9.9660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.3746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6556   15.2615    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.6688   15.2615    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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  4  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
 21 23  1  1  0  0  0
 21 24  1  6  0  0  0
 25 22  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
  4 31  1  0  0  0  0
  1 32  1  1  0  0  0
  6 33  1  0  0  0  0
 31 34  1  0  0  0  0
 34 33  1  0  0  0  0
 26 35  1  0  0  0  0
 26 36  1  0  0  0  0
M  END
> <LM_ID>
LMST03020146

> <COMMON_NAME>
(6RS)-6,19-epidioxy-24,24-difluoro-25-hydroxy-6,19-dihydrovitamin D3

> <SYSTEMATIC_NAME>
(7E)-(3S, 6RS)-6,19-epidioxy-24,24-difluoro-9,10-seco-5(10),7-cholestadiene-3,25-diol

> <FORMULA>
C27H42O4F2

> <MASS>
468.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(6RS)-6,19-epidioxy-24,24-difluoro-25-hydroxy-6,19-dihydrocholecalciferol

> <INCHI_KEY>
ZFWQCKSSHUJFRW-VPTWQCGOSA-N

> <INCHI>
InChI=1S/C27H42F2O4/c1-17(11-13-27(28,29)25(2,3)31)22-9-10-23-18(6-5-12-26(22,23)4)14-24-21-15-20(30)8-7-19(21)16-32-33-24/h14,17,20,22-24,30-31H,5-13,15-16H2,1-4H3/b18-14+/t17-,20+,22-,23+,24?,26-/m1/s1

> <SMILES>
[C@@H]1(O)CC2C(OOCC=2CC1)/C=C1/[C@]2([H])CC[C@@]([C@@](C)([H])CCC(F)(F)C(O)(C)C)([H])[C@@]2(C)CCC/1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
190097

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547390

> <LIPIDBANK_ID>
VVD0164

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
2993611

$$$$