Mol:FL1CA8NS0003

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FL1CA8NS0003.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 26  0  0  0  0  0  0  0  0999 V2000 
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    2.5006   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.2151    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5006    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7862    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5006    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2151    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2151    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5006   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2151    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0717    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0717    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  5 17  1  0  0  0  0 
 15 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  3 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 18 23  1  0  0  0  0 
 16 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
S  SKP  8 
ID	FL1CA8NS0003 
KNApSAcK_ID	C00014430 
NAME	2'-Hydroxy-2,3,4',6'-tetramethoxychalcone 
CAS_RN	76554-75-1 
FORMULA	C19H20O6 
EXACTMASS	344.125988372 
AVERAGEMASS	344.3585 
SMILES	c(c(OC)2)(cccc2OC)C=CC(c(c(O)1)c(OC)cc(OC)c1)=O 
M  END
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