LMST03020658
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0     0  0            999 V2000
    8.8161   10.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6828   11.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6828   12.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8161   12.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9494   12.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9494   11.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6345   11.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2228   11.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6345   12.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6828   13.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6345   13.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4977   14.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3644   13.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2310   14.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0977   13.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8161    9.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7714   14.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9644   14.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0977   12.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6012   12.9292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6828   10.3595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9494    9.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9494    8.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0828    7.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0828    6.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9494    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8161    6.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8161    7.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6793    8.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2196    6.3627    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.6345   14.6716    0.0000 H   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  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  3 10  1  1  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
  1 16  2  0  0  0  0
 11 17  1  6  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
  9 20  1  6  0  0  0
  2 21  1  6  0  0  0
 16 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 28 29  2  0  0  0  0
 25 30  1  6  0  0  0
 11 31  1  1  0  0  0
M  END
> <LM_ID>
LMST03020658

> <COMMON_NAME>
3-Fluoro-9,10-secocholesta-5,7,10(19)-triene

> <SYSTEMATIC_NAME>
(5Z,7E)-(3S)-3-fluoro-9,10-seco-5,7,10(19)-cholestatriene

> <FORMULA>
C27H43F

> <MASS>
386.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MDVGYNPTLLBSNB-YRZJJWOYSA-N

> <INCHI>
InChI=1S/C27H43F/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1

> <SMILES>
C1(=C/C=C2\C(=C)CC[C@H](F)C\2)/CCC[C@]2(C)[C@@]([H])([C@]([H])(C)CCCC(C)C)CC[C@@]/12[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
137730

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6452902

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$