LMST03020572
  LIPID_MAPS_STRUCTURE_DATABASE

 38 40  0     0  0            999 V2000
    9.3645    6.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4769    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5892    6.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5892    7.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4769    8.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4769    9.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3335    9.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3335   10.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4769   11.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3645    7.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4769   12.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3335   12.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1900   12.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1900   11.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9032   11.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9032   12.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0466   12.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1900   12.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1900   10.4072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7978   13.0758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0466   13.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9031   14.1257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7597   13.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6162   14.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4727   13.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3293   14.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0466   14.6201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0913   13.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    6.0788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2210    8.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2210    6.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1858   13.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3293   15.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1858   14.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0776    6.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9341    6.0788    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.1858   15.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0423   14.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  8  9  1  0  0  0  0
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  3 29  1  6  0  0  0
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  1 31  1  1  0  0  0
 26 32  1  0  0  0  0
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M  END
> <LM_ID>
LMST03020572

> <COMMON_NAME>
1alpha-(2-fluoroethyl)-25-hydroxy-26,27-dimethyl-24a-homo-22-oxavitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1R,3S)-1-(2-fluoroethyl)-26,27-dimethyl-24a-homo-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol

> <FORMULA>
C31H51O3F

> <MASS>
490.38

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha-(2-fluoroethyl)-25-hydroxy-26,27-dimethyl-24a-homo-22-oxacholecalciferol

> <INCHI_KEY>
WFJPRIIUUSYZBL-IZUGTAJPSA-N

> <INCHI>
InChI=1S/C31H51FO3/c1-6-31(34,7-2)17-9-19-35-23(4)28-13-14-29-24(10-8-16-30(28,29)5)11-12-25-20-27(33)21-26(15-18-32)22(25)3/h11-12,23,26-29,33-34H,3,6-10,13-21H2,1-2,4-5H3/b24-11+,25-12-/t23-,26-,27+,28+,29-,30+/m0/s1

> <SMILES>
[C@@H]1(CCF)C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]([C@@](C)([H])OCCCC(O)(CC)CC)([H])[C@@]3(C)CCC\2)/C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547667

> <LIPIDBANK_ID>
VVD0673

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$