Mol:FL3FECNS0019

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -1.0717   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0717    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5006    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5006   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3572   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3572    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0717    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7862    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5006    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5006    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7862    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0717    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2151    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2151   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2151    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5006   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1802    0.4327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  1  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  2  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  4 18  1  0  0  0  0 
  6 19  1  0  0  0  0 
  5 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
 19 22  1  0  0  0  0 
 13 23  1  0  0  0  0 
S  SKP  8 
ID	FL3FECNS0019 
KNApSAcK_ID	C00013316 
NAME	Carajuflavone;2-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-5-methoxy-4H-1-benzopyran-4-one 
CAS_RN	163318-80-7 
FORMULA	C16H12O7 
EXACTMASS	316.058302738 
AVERAGEMASS	316.26228000000003 
SMILES	COc(c(O)3)c(C(=O)2)c(cc(O)3)OC(=C2)c(c1)cc(O)c(O)c1 
M  END