Mol:FL3FFAGS0010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
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    0.8804   -0.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.3315   -1.0063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.0563    0.0499    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 
 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 
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 18  1  1  0  0  0  0 
  3 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 21 22  1  1  0  0  0 
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 24 23  1  1  0  0  0 
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 24 18  1  0  0  0  0 
  6 30  1  0  0  0  0 
 26 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   -6.2902    5.7011 
S  SKP  8 
ID	FL3FFAGS0010 
KNApSAcK_ID	C00004287 
NAME	Isoscutellarein 7-glucoside 
CAS_RN	63317-86-2 
FORMULA	C21H20O11 
EXACTMASS	448.100561482 
AVERAGEMASS	448.3769 
SMILES	C(C1Oc(c(O)2)cc(O)c(C(=O)4)c2OC(=C4)c(c3)ccc(O)c3)(O)C(O)C(O)C(O1)CO 
M  END