Mol:FL5FG9NS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.6004    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6004   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0441   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4878   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4878    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0441    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0685   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6248   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6248    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0685    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0685   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1809    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7479    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3149    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3149    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7479    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1809    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1565    0.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0441   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4908   -0.9911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3568   -1.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7660    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3294    1.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2882   -0.2769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6560   -0.8071    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 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
  8 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  6 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  2 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  24  25 
M  SBL   3  1  26 
M  SMT   3  OCH3 
M  SVB   3 26   -2.3149   -0.3996 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  24 
M  SMT   2  OCH3 
M  SVB   2 24    -0.766    1.0455 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22    0.8237   -0.6973 
S  SKP  8 
ID	FL5FG9NS0003 
KNApSAcK_ID	C00004587 
NAME	Araneol;5,7-Dihydroxy-3,6,8-trimethoxyflavone;5,7-Dihydroxy-3,6,8-trimethoxy-2-phenyl-4H-1-benzopyran-4-one 
CAS_RN	71479-92-0 
FORMULA	C18H16O7 
EXACTMASS	344.089602866 
AVERAGEMASS	344.31543999999997 
SMILES	c(C(O2)=C(C(c(c3O)c2c(c(c3OC)O)OC)=O)OC)(c1)cccc1 
M  END