Mol:FL5F2ANS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -2.8144   -0.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1940   -0.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7397   -0.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9060    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5264    0.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9806   -0.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4518    0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6180    1.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2384    1.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6927    1.0617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9680    0.5996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4047    2.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9418    2.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1112    3.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7436    3.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2065    2.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0371    2.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2685   -1.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9129    4.0332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9110    2.0568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2039    2.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4672   -1.4662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8838   -0.8828    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 
  1 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
  8 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  2 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  24 
M  SMT   2  OCH3 
M  SVB   2 24   -2.5983   -0.4703 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22    0.5403    -0.768 
S  SKP  8 
ID	FL5F2ANS0001 
KNApSAcK_ID	C00004574 
NAME	7,4'-Dihydroxy-3,6-dimethoxyflavone 
CAS_RN	68007-24-9 
FORMULA	C17H14O6 
EXACTMASS	314.07903818 
AVERAGEMASS	314.28945999999996 
SMILES	COc(c(O)3)cc(C(=O)1)c(c3)OC(c(c2)ccc(O)c2)=C(OC)1 
M  END