Mol:FLIA1LGS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
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    1.9872   -0.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9872   -0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5385   -1.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0899   -0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0899   -0.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5385   -0.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -4.0343    2.1401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9560   -1.4795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  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  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9  4  1  0  0  0  0 
  2 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
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  6 12  2  0  0  0  0 
  7 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
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 15 16  2  0  0  0  0 
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 17 18  2  0  0  0  0 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  31  32 
M  SBL   3  1  34 
M  SMT   3  CH2OH 
M  SVB   3 34   -3.2538    1.5984 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  33  34 
M  SBL   2  1  36 
M  SMT   2  OCH3 
M  SVB   2 36     3.284   -1.1859 
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    3.6412   -0.0247 
S  SKP  8 
ID	FLIA1LGS0003 
KNApSAcK_ID	C00010161 
NAME	7,2'-Dihydroxy-3',4'-dimethoxyisoflavone 7-O-glucoside 
CAS_RN	113235-89-5 
FORMULA	C23H24O11 
EXACTMASS	476.13186161 
AVERAGEMASS	476.43006 
SMILES	O(c(c(OC)1)c(c(C(C(=O)2)=COc(c3)c2ccc(O[C@@H]([C@@H](O)4)OC(CO)[C@H](O)[C@@H]4O)3)cc1)O)C 
M  END