Mol:FL5FBCGA0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
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    1.1812    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  1  2  1  0  0  0  0 
  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  1  2  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  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 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 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
 19 15  1  0  0  0  0 
  8 20  1  0  0  0  0 
 16 21  1  0  0  0  0 
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 23 24  1  1  0  0  0 
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 31 32  1  0  0  0  0 
  3 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1 CH2OH 
M  SBV   1 34   -8.5766    5.7530 
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  SBV   2 36   -9.4363    5.5896 
S  SKP  8 
ID	FL5FBCGA0001 
KNApSAcK_ID	C00005498 
NAME	Azaleatin 3-galactoside 
CAS_RN	27193-60-8 
FORMULA	C22H22O12 
EXACTMASS	478.111126168 
AVERAGEMASS	478.40288000000004 
SMILES	c(c(C(O3)=C(C(=O)c(c(OC)4)c3cc(c4)O)OC(O2)C(O)C(C(C(CO)2)O)O)1)cc(c(c1)O)O 
M  END