Mol:FL5FAGGS0006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
   -0.5618   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5618   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0055   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5508   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5508   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0055    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1071   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6634   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6634   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1071    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1071   -1.6403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2195    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7865   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3534    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3534    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7865    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2195    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1179    0.1451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0055   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2195   -1.1394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9376    1.1187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9202   -0.1822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7865    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4602   -0.0026    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -3.0333   -0.5661    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.4185   -0.3271    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.8253   -0.3207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.2564    0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8844   -0.1150    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -3.9374    0.2730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6988   -0.5985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0662   -0.9184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1196    0.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4499    1.3534    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 
  3 19  1  0  0  0  0 
  8 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 14 22  1  0  0  0  0 
 16 23  1  0  0  0  0 
 24 25  1  1  0  0  0 
 25 26  1  1  0  0  0 
 27 26  1  1  0  0  0 
 27 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 24  1  0  0  0  0 
 24 30  1  0  0  0  0 
 25 31  1  0  0  0  0 
 26 32  1  0  0  0  0 
 27 18  1  0  0  0  0 
 29 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  33  34 
M  SBL   1  1  36 
M  SMT   1  CH2OH 
M  SVB   1 36   -3.1196    0.6108 
S  SKP  8 
ID	FL5FAGGS0006 
KNApSAcK_ID	C00005732 
NAME	Myricetin 7-glucoside 
CAS_RN	34069-06-2 
FORMULA	C21H20O13 
EXACTMASS	480.090390726 
AVERAGEMASS	480.37569999999994 
SMILES	[C@@H](O1)(Oc(c4)cc(c3c4O)OC(=C(C(=O)3)O)c(c2)cc(O)c(O)c(O)2)[C@@H](O)[C@@H](O)[C@@H](O)C1CO 
M  END