Mol:FL5FBCGL0001

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FL5FBCGL0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
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    2.8376   -2.8390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  3  4  1  0  0  0  0 
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  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 
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  9 12  1  0  0  0  0 
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  1 18  1  0  0  0  0 
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 33 34  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  33  34 
M  SBL   2  1  36 
M  SMT   2  CH2OH 
M  SVB   2 36    2.8517   -1.8391 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1  OCH3 
M  SVB   1 34   -2.6383   -1.2426 
S  SKP  8 
ID	FL5FBCGL0001 
KNApSAcK_ID	C00005499 
NAME	Azaleatin 3-glucoside 
CAS_RN	23598-17-6 
FORMULA	C22H22O12 
EXACTMASS	478.111126168 
AVERAGEMASS	478.40288000000004 
SMILES	c(c(C(O3)=C(C(=O)c(c(OC)4)c3cc(c4)O)O[C@H](O2)C(O)C([C@H]([C@@H](CO)2)O)O)1)cc(c(c1)O)O 
M  END
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