Mol:FL5FECNF0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 33  0  0  0  0  0  0  0  0999 V2000 
   -2.1041    0.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1041   -0.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5478   -0.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9915   -0.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9915    0.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5478    0.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4352   -0.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1211   -0.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1211    0.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4352    0.4240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4352   -1.3616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6772    0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2442    0.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8111    0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8111    1.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2442    1.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6772    1.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6814    1.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3202    1.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5815    0.5326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4338    0.2216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8186    0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4338    1.2809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9871   -1.0395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8532   -1.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8186   -0.4481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8105   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5478   -1.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5478   -2.8607    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 
  6 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20  1  1  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 15  1  0  0  0  0 
  8 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
  2 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
  3 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  28  29 
M  SBL   3  1  32 
M  SMT   3  OCH3 
M  SVB   3 32   -2.0325   -0.9934 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  26  27 
M  SBL   2  1  30 
M  SMT   2  OCH3 
M  SVB   2 30   -2.8186   -0.4481 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  28 
M  SMT   1  OCH3 
M  SVB   1 28    0.3199   -0.7458 
S  SKP  8 
ID	FL5FECNF0001 
KNApSAcK_ID	C00005094 
NAME	3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2,3:7,8]flavone 
CAS_RN	77970-08-2 
FORMULA	C21H16O8 
EXACTMASS	396.08451748799996 
AVERAGEMASS	396.34694 
SMILES	O(C)c(c45)c(OC)c(c(c(cco5)4)3)C(C(=C(O3)c(c2)cc(O1)c(c2)OC1)OC)=O 
M  END