Mol:FL5F1AGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -0.1826    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1826   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3737   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9300   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9300    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3737    0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4863   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0426   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0426    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4863    0.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4863   -1.3837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5987    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1657    0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7327    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7327    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1657    1.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5987    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7732   -1.0295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7387    0.4017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5857    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0701   -0.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3276   -0.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6111    0.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1317    0.5266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7813    0.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2995   -0.0221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8739   -0.3297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9021   -0.7160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2995    1.3836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1719    0.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7553    1.1635    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 
 18  8  1  0  0  0  0 
  1 19  1  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 19  1  0  0  0  0 
 15 29  1  0  0  0  0 
 25 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  30  31 
M  SBL   1  1  33 
M  SMT   1 ^CH2OH 
M  SBV   1 33   -6.8596    5.0970 
S  SKP  8 
ID	FL5F1AGS0001 
KNApSAcK_ID	C00005128 
NAME	Resokaempferol 7-glucoside 
CAS_RN	16290-10-1 
FORMULA	C21H20O10 
EXACTMASS	432.10564686 
AVERAGEMASS	432.37749999999994 
SMILES	c(c4)c(ccc(O)4)C(=C3O)Oc(c(C3=O)2)cc(cc2)OC(O1)C(O)C(O)C(O)C1CO 
M  END