Mol:FL5FAANI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -1.1306    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1306   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5743   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0180   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0180    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5743    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5383   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0946   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0946    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5383    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5383   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6507    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2177    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7846    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7846    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2177    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6507    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6875    0.5019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6744   -0.7975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6867   -0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2416   -0.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7965   -0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7965   -1.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3514   -0.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5743   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3514    1.4543    0.0000 O   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 
 18  1  1  0  0  0  0 
  8 19  1  0  0  0  0 
  2 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
  3 25  1  0  0  0  0 
 15 26  1  0  0  0  0 
S  SKP  8 
ID	FL5FAANI0001 
KNApSAcK_ID	C00004993 
NAME	Licoflavonol;3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one 
CAS_RN	60197-60-6 
FORMULA	C20H18O6 
EXACTMASS	354.110338308 
AVERAGEMASS	354.35332 
SMILES	c(c3)c(ccc(O)3)C(=C2O)Oc(c1C2=O)cc(c(CC=C(C)C)c1O)O 
M  END