Mol:FL5FAANP0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 30  0  0  0  0  0  0  0  0999 V2000 
   -1.7602   -0.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7698    0.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0702   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3442   -0.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3350    0.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0602    0.6280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3795    0.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4606    0.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1888    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1866   -0.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4851   -1.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4851   -1.8641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0702   -1.8476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3703   -1.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9171    0.6371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0940    0.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8084    0.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8084    1.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0940    1.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3795    1.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5229    0.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2374    0.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2374    1.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5229    1.8641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8193    1.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8619    1.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9171    0.2342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  1  3  1  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  2  1  0  0  0  0 
  7  5  1  0  0  0  0 
  2  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11  1  2  0  0  0  0 
 11 12  1  0  0  0  0 
  3 13  2  0  0  0  0 
  4 14  1  0  0  0  0 
 15  9  1  0  0  0  0 
  7 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20  7  1  0  0  0  0 
 17 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 18  1  0  0  0  0 
 23 25  1  0  0  0  0 
 23 26  1  0  0  0  0 
 22 27  1  0  0  0  0 
S  SKP  8 
ID	FL5FAANP0003 
KNApSAcK_ID	C00013533 
NAME	Glycyrrhiza flavonol A;2-(3,4-Dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one 
CAS_RN	197304-01-1 
FORMULA	C20H18O7 
EXACTMASS	370.10525293 
AVERAGEMASS	370.35272 
SMILES	c(c12)(ccc(C(=C4O)Oc(c3)c(C4=O)c(cc(O)3)O)c2)OC(C)(C)C(O)C1 
M  END