Mol:FL5FFANS0025

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 33  0  0  0  0  0  0  0  0999 V2000 
    1.1369    1.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1369    1.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8514    0.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5658    1.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5658    1.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8514    2.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4224    0.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2920    1.1748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0065    0.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0065   -0.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2920   -0.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4224   -0.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7210    1.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4355    0.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4355   -0.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7210   -0.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2920   -1.1935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1499    1.1748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0930   -0.4499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1666    2.3466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7210   -1.1748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7210    1.8288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3381    2.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8473    0.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8473    1.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3785   -1.5146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0930   -1.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8075   -1.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4355   -1.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1499   -1.1748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4355   -2.4123    0.0000 C   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 
  2  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12  7  2  0  0  0  0 
  9 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 10  1  0  0  0  0 
 14 18  1  0  0  0  0 
 11 17  2  0  0  0  0 
 12 19  1  0  0  0  0 
  5 20  1  0  0  0  0 
 16 21  1  0  0  0  0 
 13 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 18 24  1  0  0  0  0 
 20 25  1  0  0  0  0 
 19 27  1  0  0  0  0 
 26 27  2  0  0  0  0 
 27 28  1  0  0  0  0 
 21 29  1  0  0  0  0 
 29 30  2  0  0  0  0 
 29 31  1  0  0  0  0 
S  SKP  8 
ID	FL5FFANS0025 
KNApSAcK_ID	C00013832 
NAME	Tambulin 3,5-diacetata;3,5-Diacetyltambulin;3,5-Bis(acetyloxy)-7,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one 
CAS_RN	58264-77-0 
FORMULA	C22H20O9 
EXACTMASS	428.11073223799997 
AVERAGEMASS	428.3888 
SMILES	O(C)c(c1)ccc(C(O2)=C(C(=O)c(c(OC(C)=O)3)c2c(OC)c(OC)c3)OC(C)=O)c1 
M  END