Mol:FL3FFGNS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -2.3202   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3202   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2076   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2076   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0950   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0950   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513    0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513   -1.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5950    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5950    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639   -1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8763    0.1843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1618   -0.1430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4859    0.7574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0494    1.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4610    1.3391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3270    1.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3115    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7529    2.6397    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 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
  6 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 15 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 16 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  25  26 
M  SBL   3  1  27 
M  SMT   3  OCH3 
M  SVB   3 27    1.3115    1.7424 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25    2.1618    1.1662 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23   -1.4859    0.7574 
S  SKP  8 
ID	FL3FFGNS0003 
KNApSAcK_ID	C00003959 
NAME	5,7,3'-Trihydroxy-8,4',5'-trimethoxyflavone 
CAS_RN	- 
FORMULA	C18H16O8 
EXACTMASS	360.08451748799996 
AVERAGEMASS	360.31484 
SMILES	c(c1OC)(O)cc(c(C(=O)2)c(OC(c(c3)cc(c(OC)c(O)3)OC)=C2)1)O 
M  END