Mol:FL2FE9GS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
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    0.2867   -0.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8076   -0.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8076    0.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.8494    0.1249    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    1.3285    0.4256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3285   -1.3013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4291    0.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9578    0.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4865    0.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4865    1.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9578    1.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.4300    0.2213    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.7600    0.7929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.1676   -0.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5469   -1.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4902    1.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4168    1.6618    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 
  3  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  4  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
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 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  6 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  0  0  0 
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 25 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  31  32 
M  SBL   2  1  34 
M  SMT   2  CH2OH 
M  SVB   2 34   -2.4902    1.2857 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1  OCH3 
M  SVB   1 32   -0.1676   -0.9276 
S  SKP  8 
ID	FL2FE9GS0002 
KNApSAcK_ID	C00008485 
NAME	6,7-Dihydroxy-5-methoxyflavanone 7-O-glucoside 
CAS_RN	150036-32-1 
FORMULA	C22H24O10 
EXACTMASS	448.136946988 
AVERAGEMASS	448.41996000000006 
SMILES	O(C)c(c(O)3)c(c(cc3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)2)C(=O)CC(O2)c(c1)cccc1 
M  END