Mol:FL3F18GS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -0.2092    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2092   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3471   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9034   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9034    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3471    0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4597   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0160   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0160    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4597    0.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4597   -1.3837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5721    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1391    0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7061    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7061    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1391    1.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5721    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7653    0.4017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0751    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6192   -0.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9629   -0.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3295   -0.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7898    0.2582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3640   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7061   -0.2268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3298   -0.4988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5868   -0.8403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0053    1.3836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2609    0.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9754    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 
 17 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   -8.0014    5.0855 
S  SKP  8 
ID	FL3F18GS0001 
KNApSAcK_ID	C00004115 
NAME	7,2'-Dihydroxyflavone 7-glucoside 
CAS_RN	140187-26-4 
FORMULA	C21H20O9 
EXACTMASS	416.11073223799997 
AVERAGEMASS	416.37809999999996 
SMILES	c(c3)c(OC(O4)C(O)C(O)C(O)C4CO)cc(c32)OC(=CC2=O)c(c(O)1)cccc1 
M  END