Mol:FL63ACGS0007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -1.9540    0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9540   -0.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4360   -0.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9180   -0.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9180    0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4360    0.8283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4000   -0.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1180   -0.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1180    0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4000    0.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6360    0.8283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1583    0.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6806    0.8283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6806    1.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1583    1.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6360    1.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1805    1.7200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4720    0.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6360   -0.3680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4360   -0.9647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1583    2.3352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5779   -1.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1133   -1.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9434   -1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1133   -0.6606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5779   -0.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7477   -0.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4042   -0.9459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7154   -2.0572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9841   -2.3352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4720   -1.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  6  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
 17 14  1  0  0  0  0 
  1 18  1  0  0  0  0 
  8 19  1  1  0  0  0 
  3 20  1  0  0  0  0 
 15 21  1  0  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 26  1  0  0  0  0 
 26 27  1  1  0  0  0 
 27 22  1  1  0  0  0 
 27 28  1  0  0  0  0 
 22 29  1  0  0  0  0 
 23 30  1  0  0  0  0 
 24 31  1  0  0  0  0 
 26 19  1  0  0  0  0 
S  SKP  8 
ID	FL63ACGS0007 
KNApSAcK_ID	C00008843 
NAME	Catechin 3-O-alpha-L-rhamnoside 
CAS_RN	103630-03-1 
FORMULA	C21H24O10 
EXACTMASS	436.136946988 
AVERAGEMASS	436.40926 
SMILES	c(c(O)4)c(O)c(c(c4)2)CC(C(c(c3)cc(c(O)c3)O)O2)OC(O1)C(O)C(O)C(O)C(C)1 
M  END