Mol:FL1CA9NS0002

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FL1CA9NS0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 20 21  0  0  0  0  0  0  0  0999 V2000 
   -2.0511    0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0511   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4948   -0.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9385   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9385    0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4948    0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3822   -0.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1741   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7302   -0.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2863   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8473   -0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4083   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4083    0.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8473    0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2863    0.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3822   -0.9714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4948   -1.1122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3824    0.8145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4083    1.1122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9083    1.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
  3 17  1  0  0  0  0 
  5 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  20 
M  SMT   1  OCH3 
M  SVB   1 20   -2.4083    1.1122 
S  SKP  8 
ID	FL1CA9NS0002 
KNApSAcK_ID	C00006934 
NAME	2',6'-Dihydroxy-4'-methoxychalcone 
CAS_RN	18956-15-5 
FORMULA	C16H14O4 
EXACTMASS	270.089208936 
AVERAGEMASS	270.27996 
SMILES	COc(c1)cc(O)c(C(=O)C=Cc(c2)cccc2)c(O)1 
M  END
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