Mol:FL5FGGNS0015

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -2.0995   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0995   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5432   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9869   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9869   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5432    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4306   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1257   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1257   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4306    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4306   -1.6403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6818    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2488   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8158    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8158    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2488    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6818    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5432   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7104    0.0225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0880   -0.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7104   -1.0168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2488    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6112   -0.1612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7987   -0.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3735    1.0439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0880    0.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9917   -1.3183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8578   -1.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2652    0.7182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8287    1.6179    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 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
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 16 22  1  0  0  0  0 
 14 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 15 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
  8 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
  6 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  29  30 
M  SBL   4  1  32 
M  SMT   4  OCH3 
M  SVB   4 32   -1.2652    0.7182 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  27  28 
M  SBL   3  1  30 
M  SMT   3  OCH3 
M  SVB   3 30     0.336   -1.0033 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  25  26 
M  SBL   2  1  28 
M  SMT   2  OCH3 
M  SVB   2 28    2.3735    1.0439 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  23  24 
M  SBL   1  1  26 
M  SMT   1  OCH3 
M  SVB   1 26    2.4072   -0.4686 
S  SKP  8 
ID	FL5FGGNS0015 
KNApSAcK_ID	C00005069 
NAME	5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone 
CAS_RN	82668-96-0 
FORMULA	C20H18O10 
EXACTMASS	418.089996796 
AVERAGEMASS	418.35092 
SMILES	C(O3)(c(c4)cc(OC)c(c(O)4)OC)=C(C(c(c31)c(O)c(O2)c(OC2)c(OC)1)=O)OC 
M  END