Mol:FL3FBANI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 30  0  0  0  0  0  0  0  0999 V2000 
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   -0.5665   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0102   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5461   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5461    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0102    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1024   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.6587    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1024    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1024   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.3487    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7818    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2148    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.8520    1.0596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2416    0.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9156   -0.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
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  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
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  8  9  2  0  0  0  0 
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  3 26  1  0  0  0  0 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  29 
M  SMT   1 OCH3 
M  SBV   1 29   -6.1344    2.8231 
S  SKP  8 
ID	FL3FBANI0001 
KNApSAcK_ID	C00003929 
NAME	4'-Hydroxy-5-methoxy-7-(3-methyl-2,3-epoxybutoxy)flavone 
CAS_RN	94390-12-2 
FORMULA	C21H20O6 
EXACTMASS	368.125988372 
AVERAGEMASS	368.37989999999996 
SMILES	COc(c3)c(c(cc(OCC(C(C)(C)4)O4)3)2)C(=O)C=C(O2)c(c1)ccc(O)c1 
M  END