Mol:FL5FFAGS0009

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FL5FFAGS0009.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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    1.5524    1.4211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9313    1.8181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7056    1.3202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3237    1.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0381    0.6640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  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 
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  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
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 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
  8 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 21 15  1  0  0  0  0 
  6 22  1  0  0  0  0 
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 24 21  1  0  0  0  0 
 26 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  35 
M  SMT   1 CH2OH 
M  SBV   1 35   -5.0843    3.3205 
S  SKP  8 
ID	FL5FFAGS0009 
KNApSAcK_ID	C00005344 
NAME	Herbacetin 4'-glucoside 
CAS_RN	74355-98-9 
FORMULA	C21H20O12 
EXACTMASS	464.095476104 
AVERAGEMASS	464.37629999999996 
SMILES	c(c1)(O)c(C2=O)c(OC(c(c3)ccc(OC(O4)C(O)C(O)C(O)C4CO)c3)=C2O)c(O)c(O)1 
M  END
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