Mol:FL1A3CGS0006

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FL1A3CGS0006.png

 
 
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 32 35  0  0  0  0  0  0  0  0999 V2000 
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  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  1  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9  2  1  0  0  0  0 
  4 10  1  0  0  0  0 
  8 11  2  0  0  0  0 
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  7 19  2  0  0  0  0 
 16 20  1  0  0  0  0 
  3 21  1  0  0  0  0 
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 27 31  1  0  0  0  0 
 31 32  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   -7.2590    4.8219 
S  SKP  8 
ID	FL1A3CGS0006 
KNApSAcK_ID	C00008055 
NAME	Maritimetin 7-glucoside 
CAS_RN	134955-54-7 
FORMULA	C21H20O11 
EXACTMASS	448.100561482 
AVERAGEMASS	448.3769 
SMILES	c(c24)(c(c(cc4)O)OC(C(O)3)OC(CO)C(O)C3O)oc(c(=O)2)=Cc(c1)ccc(c1O)O 
M  END
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