Mol:FL3FEGNI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 35  0  0  0  0  0  0  0  0999 V2000 
   -2.1557   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1557   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8702    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5846   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5846   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8702   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4412   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7268   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7268   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4412    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0123    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7022   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4167    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4167    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7022    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0123    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4412   -2.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1311    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2991    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8702   -2.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7022    2.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8523    1.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0123    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1311   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8456    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2979   -1.4431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1557   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0100   -1.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0136   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5727    1.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2932    1.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0136    1.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2932    0.1955    0.0000 C   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 
 18 14  1  0  0  0  0 
  4 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 18 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
 13 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
  5 26  1  0  0  0  0 
 20 27  1  0  0  0  0 
 26 28  1  0  0  0  0 
 19 29  1  0  0  0  0 
 22 30  1  0  0  0  0 
 30 31  2  0  0  0  0 
 31 32  1  0  0  0  0 
 31 33  1  0  0  0  0 
S  SKP  8 
ID	FL3FEGNI0001 
KNApSAcK_ID	C00013424 
NAME	2-[3,5-Dimethoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-5,6,7-trimethoxy-4H-1-benzopyran-4-one 
CAS_RN	194735-90-5 
FORMULA	C25H28O8 
EXACTMASS	456.17841787199995 
AVERAGEMASS	456.48502 
SMILES	c(c21)c(OC)c(c(OC)c1C(C=C(c(c3)cc(c(OCC=C(C)C)c(OC)3)OC)O2)=O)OC 
M  END