Mol:FL3FF8NS0011

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.6796    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6796   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1233   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5670   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5670    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1233    0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0107   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5456   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5456    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0107    0.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0107   -1.4588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1017    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6687   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2357    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2357    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6687    1.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1017    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2357    0.3266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1233   -1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8452    0.8998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4086    1.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2376   -0.1643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9521   -0.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7445    1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2446    2.4662    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 
  3 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 13 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 17 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  24  25 
M  SBL   3  1  26 
M  SMT   3  OCH3 
M  SVB   3 26    0.7445    1.6001 
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    1.2376   -0.1643 
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   -0.8452    0.8998 
S  SKP  8 
ID	FL3FF8NS0011 
KNApSAcK_ID	C00003905 
NAME	5,7-Dihydroxy-8,2',6'-trimethoxyflavone 
CAS_RN	102273-93-8 
FORMULA	C18H16O7 
EXACTMASS	344.089602866 
AVERAGEMASS	344.31543999999997 
SMILES	c(c1OC)(O)cc(c(C(=O)2)c(OC(c(c(OC)3)c(OC)ccc3)=C2)1)O 
M  END