Mol:FL5FDANF0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 30  0  0  0  0  0  0  0  0999 V2000 
   -1.2652    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2652   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7089   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1526   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1526    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7089    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4037   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9600   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9600    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4037    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4037   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5161    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0831    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6501    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6501    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0831    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5161    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2169    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7089   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8761    0.3498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2537   -0.1699    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -1.8761   -0.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8958   -0.1699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2169   -0.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2169    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8260   -0.9911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6920   -1.4911    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 
 15 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22  2  1  0  0  0  0 
 21 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  2  0  0  0  0 
  8 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  29 
M  SMT   1  OCH3 
M  SVB   1 29    1.1589   -0.6973 
S  SKP  8 
ID	FL5FDANF0001 
KNApSAcK_ID	C00005095 
NAME	Vellokaempferol 3-methyl ether 
CAS_RN	- 
FORMULA	C21H18O6 
EXACTMASS	366.110338308 
AVERAGEMASS	366.36402 
SMILES	c(c4)(ccc(O)c4)C(O1)=C(C(c(c(O)2)c1cc(O3)c2CC3C(C)=C)=O)OC 
M  END