Mol:FL2FACGS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
   -1.2940    0.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2940   -0.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7377   -0.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1814   -0.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1814    0.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7377    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3749   -0.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9312   -0.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9312    0.2581    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.3749    0.5793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4873    0.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0543    0.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6212    0.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6212    1.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0543    1.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4873    1.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3749   -1.2493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1881    1.5611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8501    0.5791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0543    2.2795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7377   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8009   -1.5368    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -2.4547   -1.9939    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.9561   -1.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.4364   -1.8057    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.8246   -1.4451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3339   -1.6280    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -3.2461   -1.4978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7816   -2.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6704   -2.2795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6035   -0.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5893   -0.7332    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 21  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   -2.6035   -0.9009 
S  SKP  8 
ID	FL2FACGS0003 
KNApSAcK_ID	C00008290 
NAME	Eriodictyol 5-O-glucoside 
CAS_RN	103617-12-5 
FORMULA	C21H22O11 
EXACTMASS	450.116211546 
AVERAGEMASS	450.39278 
SMILES	[C@@H]([C@@H]1Oc(c4)c(C(=O)3)c(cc(O)4)OC(C3)c(c2)cc(c(O)c2)O)(O)[C@@H](O)[C@@H](O)C(O1)CO 
M  END