Mol:FL3FADNI0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -1.1300   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1300   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5737   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0174   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0174   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5737    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5389   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0952   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0952   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5389    0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5389   -1.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6513    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2182   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7852    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7852    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2182    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6513    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6861    0.1843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5737   -1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6861   -1.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2422   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7971   -1.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3520   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7971   -1.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7852    0.8390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5017    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9432    2.6396    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 
  1 18  1  0  0  0  0 
  3 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 
 15 25  1  0  0  0  0 
 16 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  28 
M  SMT   1  OCH3 
M  SVB   1 28    2.5017    1.7424 
S  SKP  8 
ID	FL3FADNI0002 
KNApSAcK_ID	C00004036 
NAME	Cannflavin B;6-Prenylchrysoeriol;Canniflavone;Canniflavone 1;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one 
CAS_RN	76735-58-5 
FORMULA	C21H20O6 
EXACTMASS	368.125988372 
AVERAGEMASS	368.37989999999996 
SMILES	c(c1)(C(=C3)Oc(c2)c(C(=O)3)c(c(CC=C(C)C)c(O)2)O)cc(c(O)c1)OC 
M  END