Mol:FL1CA9NP0012

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FL1CA9NP0012.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -2.1434    1.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434    0.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.0000    0.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000   -0.7153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145    0.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.1434    0.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.5724    0.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5724    1.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8579    1.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1434    1.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8579    1.7597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0000    1.7597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145    1.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8579    0.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8579   -0.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434   -1.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289   -0.7153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6131   -1.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6737   -1.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5724   -1.1278    0.0000 O   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 
  1 17  1  0  0  0  0 
  5 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
  2 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23  3  1  0  0  0  0 
 22 24  1  0  0  0  0 
 22 25  1  0  0  0  0 
 21 26  1  0  0  0  0 
S  SKP  8 
ID	FL1CA9NP0012 
KNApSAcK_ID	C00014448 
NAME	6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-6'-methoxychalcone 
CAS_RN	140158-54-9 
FORMULA	C21H22O5 
EXACTMASS	354.146723814 
AVERAGEMASS	354.39638 
SMILES	COc(c2)c(c(O3)c(CC(C3(C)C)O)c(O)2)C(=O)C=Cc(c1)cccc1 
M  END
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