Mol:FL5FBDNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -1.9630   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9630   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067    0.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941    0.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.6357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853   -0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    1.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183   -1.1347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5191    0.1497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9523    0.8044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8431   -1.2954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1286   -1.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6687    1.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1101    2.6052    0.0000 C   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 
  8 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
  3 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 16 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25    1.6687    1.7079 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23   -1.8431   -1.2954 
S  SKP  8 
ID	FL5FBDNS0001 
KNApSAcK_ID	C00004641 
NAME	Quercetin 5,3'-dimethyl ether;3,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-4H-1-benzopyran-4-one 
CAS_RN	40554-94-7 
FORMULA	C17H14O7 
EXACTMASS	330.073952802 
AVERAGEMASS	330.28886 
SMILES	COc(c(O)3)cc(cc3)C(O1)=C(O)C(=O)c(c(OC)2)c(cc(O)c2)1 
M  END