Mol:FL5FGGNS0016

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -2.0995   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0995   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5432   -1.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9869   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9869   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5432    0.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4306   -1.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1257   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1257   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4306    0.1107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4306   -1.6749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6818    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2488   -0.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8158    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8158    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2488    1.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6818    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7104   -0.0120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0880   -0.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7104   -1.0514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2488    1.7471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9917   -1.3529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8577   -1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9796   -1.3346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2652   -1.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2652    0.6837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8287    1.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6112   -0.1957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7987   -0.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3735    1.0094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0880    0.5969    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 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20  2  1  0  0  0  0 
 16 21  1  0  0  0  0 
  8 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  3 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
  6 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 14 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 15 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  30  31 
M  SBL   5  1  33 
M  SMT   5  OCH3 
M  SVB   5 33    2.3735    1.0094 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  28  29 
M  SBL   4  1  31 
M  SMT   4  OCH3 
M  SVB   4 31    2.4072   -0.5031 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  26  27 
M  SBL   3  1  29 
M  SMT   3  OCH3 
M  SVB   3 29   -1.2652    0.6837 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  27 
M  SMT   2  OCH3 
M  SVB   2 27   -1.9796   -1.3346 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  25 
M  SMT   1  OCH3 
M  SVB   1 25     0.336   -1.0379 
S  SKP  8 
ID	FL5FGGNS0016 
KNApSAcK_ID	C00005070 
NAME	3'-Hydroxy-3,5,8,4',5'-pentamethoxy-6,7-methylenedioxyflavone 
CAS_RN	82668-94-8 
FORMULA	C21H20O10 
EXACTMASS	432.10564686 
AVERAGEMASS	432.37749999999994 
SMILES	COc(c(O)1)c(cc(C(O2)=C(C(c(c(OC)3)c2c(OC)c(O4)c3OC4)=O)OC)c1)OC 
M  END