Mol:FL1DBFNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 25  0  0  0  0  0  0  0  0999 V2000 
   -2.5457    0.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5457   -0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9917   -0.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4377   -0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.9917    0.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8840   -0.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.2198   -0.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7700   -0.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3084   -0.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8467   -0.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8467    0.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3084    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7700    0.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8840   -0.9579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.3850    0.9309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0994    0.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7127   -0.5015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5788   -1.0015    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  1  0  0  0  0 
  8  9  1  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 
  1 17  1  0  0  0  0 
  3 18  1  0  0  0  0 
  5 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 13 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 12 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  24 
M  SMT   3  OCH3 
M  SVB   3 24    2.0277   -0.2078 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  22 
M  SMT   2  OCH3 
M  SVB   2 22     2.385    0.9309 
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    -0.884    0.9592 
S  SKP  8 
ID	FL1DBFNS0001 
KNApSAcK_ID	C00007944 
NAME	2',4'-Dihydroxy-3,4,6'-trimethoxydihydrochalcone 
CAS_RN	130893-62-8 
FORMULA	C18H20O6 
EXACTMASS	332.125988372 
AVERAGEMASS	332.3478 
SMILES	c(c(C(=O)CCc(c2)cc(OC)c(OC)c2)1)(OC)cc(O)cc1O 
M  END