Mol:FL3FALNI0009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 34  0  0  0  0  0  0  0  0999 V2000 
   -1.1300    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1300   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5737   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0174   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0174    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5737    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5389   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0952   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0952    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5389    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5389   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6513    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2182    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7852    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7852    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2182    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6513    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5737   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6861   -0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2422   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7971   -0.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3520   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7971   -1.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3520    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0845    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6513   -0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2074   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7623   -0.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3172   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7623   -1.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4873    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9874    1.6360    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 
  3 18  1  0  0  0  0 
  2 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
 15 24  1  0  0  0  0 
 17 25  1  0  0  0  0 
  8 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  2  0  0  0  0 
 28 29  1  0  0  0  0 
 28 30  1  0  0  0  0 
  1 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  33 
M  SMT   1  OCH3 
M  SVB   1 33   -1.4873      0.77 
S  SKP  8 
ID	FL3FALNI0009 
KNApSAcK_ID	C00004032 
NAME	Artocarpin;2',4',5-Trihydroxy-7-methoxy-6-(3-methyl-1-butenyl)-3-(3-methyl-2-butenyl)flavone;2-(2,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methyl-1-butenyl)-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one 
CAS_RN	7608-44-8 
FORMULA	C26H28O6 
EXACTMASS	436.188588628 
AVERAGEMASS	436.49692 
SMILES	C(C3=O)(=C(Oc(c32)cc(OC)c(c2O)CC=C(C)C)c(c1)c(O)cc(c1)O)CC=C(C)C 
M  END