Mol:FL5FACNI0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 37 39  0  0  0  0  0  0  0  0999 V2000 
   -2.8114   -0.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8114   -0.7823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2551   -1.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6988   -0.7823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6988   -0.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2551    0.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1425   -1.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5862   -0.7823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5862   -0.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1425    0.1813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1425   -1.6043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0301    0.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5369   -0.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1038    0.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1038    0.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5369    1.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0301    0.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0064   -1.0887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2551   -1.7456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6706    1.1631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3675    0.1811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5369    1.8177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2551    0.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8112    1.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6706   -0.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8112    1.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3673    2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2551    2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2363    0.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8019   -0.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3675    0.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8019   -0.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5369   -0.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1037   -1.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1037   -1.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6693   -2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5380   -2.1076    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 
 15 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
 16 22  1  0  0  0  0 
  6 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 14 25  1  0  0  0  0 
 24 26  2  0  0  0  0 
 26 27  1  0  0  0  0 
 26 28  1  0  0  0  0 
 25 29  1  0  0  0  0 
 29 30  2  0  0  0  0 
 30 31  1  0  0  0  0 
 30 32  1  0  0  0  0 
 13 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
 34 35  2  0  0  0  0 
 35 36  1  0  0  0  0 
 35 37  1  0  0  0  0 
S  SKP  8 
ID	FL5FACNI0004 
KNApSAcK_ID	C00005034 
NAME	Broussoflavonol G 
CAS_RN	128341-11-7 
FORMULA	C30H34O7 
EXACTMASS	506.230453442 
AVERAGEMASS	506.58676 
SMILES	c(c3O)c(O)c(c(c23)OC(=C(C2=O)O)c(c1)c(c(c(O)c(O)1)CC=C(C)C)CC=C(C)C)CC=C(C)C 
M  END