Mol:LBF21406CV13

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LBF21406CV13.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 26  0  0  0  0  0  0  0  0999 V2000 
    7.8959    0.2044    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    7.5869   -0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.3959   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.2050   -0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.8959    0.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.6359   -1.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4280   -2.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4769   -2.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2690   -3.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3179   -3.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1100   -4.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1590   -4.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.8959    1.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.7620    1.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.7620    2.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.6280    3.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.6280    4.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.4940    4.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.4940    5.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.3600    6.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -6.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.3959   -2.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.9449    0.5134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.1560   -1.0557    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0 
    2.9511   -5.8953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4158   -4.2481    0.0000 O   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 
  1  5  1  0  0  0  0 
  2  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 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
  1 13  1  1  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  3 22  2  0  0  0  0 
  1 23  1  6  0  0  0 
  4 24  1  0  0  0  0 
 12 25  1  0  0  0  0 
 12 26  2  0  0  0  0 
 25 21  1  0  0  0  0 
S  SKP  5 
ID	LBF21406CV13 
FORMULA	C21H29BrO4 
EXACTMASS	424.12492201599997 
AVERAGEMASS	425.35655999999994 
SMILES	C(CC=CC[C@](O)(C(=CC=CCCCC(OC)=O)1)C=C(C1=O)Br)CCC 
M  END
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