Mol:FL2FACGS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
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   -0.6649   -0.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1086   -1.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4477   -0.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4477   -0.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1086    0.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0040   -1.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5603   -0.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5603   -0.2079    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    1.0040    0.1133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1164    0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6833   -0.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2503    0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2503    0.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6833    1.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1164    0.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0040   -1.7152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8171    1.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2210    0.1132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6833    1.8136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.5852   -0.5953    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.0655   -0.6010    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
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   -3.8751   -0.2932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4106   -1.2194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2995   -1.0749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2326    0.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2184    0.4715    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  0  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 
  7 17  2  0  0  0  0 
 14 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 20 15  1  0  0  0  0 
  3 21  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 25 19  1  0  0  0  0 
 27 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1  CH2OH 
M  SVB   1 34   -3.2326    0.3038 
S  SKP  8 
ID	FL2FACGS0004 
KNApSAcK_ID	C00008291 
NAME	Eriodictyol 7-O-glucoside 
CAS_RN	38965-51-4 
FORMULA	C21H22O11 
EXACTMASS	450.116211546 
AVERAGEMASS	450.39278 
SMILES	c(c1)c(C(C4)Oc(c3C(=O)4)cc(cc(O)3)O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C2CO)cc(c(O)1)O 
M  END