Mol:FL3F1AGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -0.4926    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4926   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0637   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6200   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6200    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0637    0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1763   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7326   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7326    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1763    0.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1763   -1.3837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2887    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8557    0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4226    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4226    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8557    1.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2887    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.9026   -0.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2463   -0.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6129   -0.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0732    0.2582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6474   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9895   -0.2268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6132   -0.4988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8702   -0.8403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9895    1.3836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5443    0.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2588    0.7319    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 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
 19 20  1  1  0  0  0 
 20 21  1  1  0  0  0 
 22 21  1  1  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 19  1  0  0  0  0 
 19 25  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 18  1  0  0  0  0 
 15 28  1  0  0  0  0 
 24 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1 ^CH2OH 
M  SBV   1 32   -8.2848    5.0855 
S  SKP  8 
ID	FL3F1AGS0001 
KNApSAcK_ID	C00004116 
NAME	7,4'-Dihydroxyflavone 7-glucoside 
CAS_RN	20633-86-7 
FORMULA	C21H20O9 
EXACTMASS	416.11073223799997 
AVERAGEMASS	416.37809999999996 
SMILES	Oc(c1)ccc(C(=C4)Oc(c3C(=O)4)cc(cc3)OC(O2)C(O)C(O)C(O)C2CO)c1 
M  END