Mol:FL1C1ANP0020

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -2.9069    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9069    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1924    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4779    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4779    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1924    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6214    2.6812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7635    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0490    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6655    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3799    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6655    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0490   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0490   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6655   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3799   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3799   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6655   -2.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0490   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0944   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8089   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8089   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0944    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0911    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6214   -0.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5234   -1.4438    0.0000 O   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 
  4  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 10 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 
 18 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 17  1  0  0  0  0 
 22 24  1  0  0  0  0 
 22 25  1  0  0  0  0 
 21 26  1  0  0  0  0 
S  SKP  8 
ID	FL1C1ANP0020 
KNApSAcK_ID	C00014468 
NAME	Xanthoangelol H;6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-4'-methoxychalcone 
CAS_RN	265652-89-9 
FORMULA	C21H22O5 
EXACTMASS	354.146723814 
AVERAGEMASS	354.39638 
SMILES	O(C(C)(C)2)c(c1C(=O)C=Cc(c3)ccc(O)c3)c(CC2O)c(cc1)OC 
M  END