Mol:FL5FF8NS0008

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -1.7289   -0.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7289   -0.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1726   -1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6163   -0.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6163   -0.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1726    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0600   -1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4963   -0.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4963   -0.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0600    0.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0600   -1.6148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0524    0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6194   -0.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1863    0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1863    0.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6194    1.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0524    0.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0524   -1.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1726   -1.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1726    0.8129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7179    1.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2278    1.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7179    1.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4856    1.1526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0862    0.4683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5863    1.3343    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 
  8 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  2  0  0  0  0 
 17 24  1  0  0  0  0 
  1 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  25  26 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27   -2.0862    0.4683 
S  SKP  8 
ID	FL5FF8NS0008 
KNApSAcK_ID	C00004921 
NAME	3,5,8,2'-Tetrahydroxy-7-methoxyflavone 8-acetate 
CAS_RN	112161-56-5 
FORMULA	C18H14O8 
EXACTMASS	358.068867424 
AVERAGEMASS	358.29896 
SMILES	c(c21)(O)cc(c(c(OC(c(c3)c(O)ccc3)=C(C2=O)O)1)OC(C)=O)OC 
M  END