Mol:FL5F9AGL0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
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   -0.9426    0.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.7474    1.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.4458   -1.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1912   -0.8907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9412   -1.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3289   -0.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5834   -0.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.8883   -0.7553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4534   -1.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1678   -1.4895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3142    1.4894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0287    1.0769    0.0000 C   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 
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 28 29  1  0  0  0  0 
 15 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  28  29 
M  SBL   1  1  31 
M  SMT   1 CH2OH 
M  SBV   1 31   -5.0853    7.5556 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  30  31 
M  SBL   2  1  33 
M  SMT   2 OCH3 
M  SBV   2 33   -5.0307    7.8562 
S  SKP  8 
ID	FL5F9AGL0001 
KNApSAcK_ID	C00005119 
NAME	3-Hydroxy-4'-methoxyflavone 3-glucoside 
CAS_RN	135557-21-0 
FORMULA	C22H22O9 
EXACTMASS	430.126382302 
AVERAGEMASS	430.40468000000004 
SMILES	O(C)c(c1)ccc(C(=C(OC(O4)C(O)C(C(C(CO)4)O)O)2)Oc(c3)c(ccc3)C2=O)c1 
M  END