Mol:FL1CDAGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 35  0  0  0  0  0  0  0  0999 V2000 
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   -3.7155   -0.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1615   -0.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6075   -0.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6075    0.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1615    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0538   -0.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5013   -0.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9500   -0.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3998   -0.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1386   -0.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6769   -0.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6769    0.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1386    0.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3998    0.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0538   -1.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0711    0.6258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1615   -1.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1457    0.9590    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    1.8449    0.4380    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.4234    0.6033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0053    0.4380    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.3062    0.9590    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.7277    0.7937    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    1.5870    0.8093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7692    1.2683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8894    0.8028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0538    0.7123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3393    0.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0728    1.0114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5728    1.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2049    0.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2049   -0.6794    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  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 
 17 13  1  0  0  0  0 
  3 18  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 19  1  0  0  0  0 
 19 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
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 17 20  1  0  0  0  0 
  5 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
  1 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 22 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  32  33 
M  SBL   3  1  34 
M  SMT   3  CH2OH 
M  SVB   3 34    3.3583    0.4647 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  30  31 
M  SBL   2  1  32 
M  SMT   2  OCH3 
M  SVB   2 32   -4.0728    1.0114 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  28  29 
M  SBL   1  1  30 
M  SMT   1  OCH3 
M  SVB   1 30   -2.0538    0.7123 
S  SKP  8 
ID	FL1CDAGS0001 
KNApSAcK_ID	C00007888 
NAME	4,2'-Dihydroxy-4',6'-dimethoxychalcone 4-glucoside 
CAS_RN	68984-71-4 
FORMULA	C23H26O10 
EXACTMASS	462.152597052 
AVERAGEMASS	462.44654 
SMILES	c(c3)(c(c(cc3OC)O)C(=O)C=Cc(c2)ccc(c2)O[C@@H](C(O)1)O[C@H](CO)[C@H](O)C1O)OC 
M  END