Mol:FL5FGGNS0009

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Copyright: ARM project http://www.metabolome.jp/
 31 33  0  0  0  0  0  0  0  0999 V2000
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    1.6742    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072    1.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2410   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072    1.7471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9555   -0.7614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9474   -0.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5983    0.4082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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 14 18  1  0  0  0  0
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  2 20  1  0  0  0  0
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  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
  8 24  1  0  0  0  0
 24 25  1  0  0  0  0
  6 26  1  0  0  0  0
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  3 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   6 SUP
M  SLB  1   6   6
M  SAL   6  2  30  31
M  SBL   6  1  32
M  SMT   6  OCH3
M  SVB   6 32     2.241    1.0925
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  28  29
M  SBL   5  1  30
M  SMT   5  OCH3
M  SVB   5 30   -2.1212   -1.3346
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  26  27
M  SBL   4  1  28
M  SMT   4  OCH3
M  SVB   4 28   -1.4067    0.6837
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     0.183   -1.0591
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   -2.5983    0.4082
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   -2.9555   -0.7614
S  SKP  8
ID	FL5FGGNS0009
KNApSAcK_ID	C00004866
NAME	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
CAS_RN	78516-76-4
FORMULA	C21H22O10
EXACTMASS	434.121296924
AVERAGEMASS	434.39338
SMILES	O(C)c(c31)c(c(c(OC)c1C(C(OC)=C(O3)c(c2)cc(O)c(c(O)2)OC)=O)OC)OC
M  END

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