Mol:FL5FFCGL0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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  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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  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
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 13 14  1  0  0  0  0 
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  3 18  1  0  0  0  0 
  8 19  1  0  0  0  0 
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  6 22  1  0  0  0  0 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  35 
M  SMT   2  CH2OH 
M  SVB   2 35   -1.5224    1.7961 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  34  35 
M  SBL   1  1  37 
M  SMT   1  OCH3 
M  SVB   1 37   -1.9933   -0.1327 
S  SKP  8 
ID	FL5FFCGL0004 
KNApSAcK_ID	C00005700 
NAME	Ranupenin 8-glucoside 
CAS_RN	67550-03-2 
FORMULA	C22H22O13 
EXACTMASS	494.10604078999995 
AVERAGEMASS	494.40228 
SMILES	O(c12)C(c(c4)ccc(c4O)O)=C(C(c1c(cc(OC)c2O[C@H](O3)[C@@H](O)[C@H]([C@H](C(CO)3)O)O)O)=O)O 
M  END