Mol:FL5FCANSS001

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FL5FCANSS001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
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    0.9132   -1.3892    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.6013   -1.8346    0.0000 O   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 
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  9 12  1  0  0  0  0 
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  1 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  25  26 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27   -2.4113     0.799 
S  SKP  8 
ID	FL5FCANSS001 
KNApSAcK_ID	C00004949 
NAME	Rhamnocitrin 3-O-sulfate 
CAS_RN	60889-06-7 
FORMULA	C16H12O9S 
EXACTMASS	380.020202672 
AVERAGEMASS	380.32708 
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)ccc(O)c2 
M  END
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