Mol:FL5FGCNS0024

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 33  0  0  0  0  0  0  0  0999 V2000
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    0.1211    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4352    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4352   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8111    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8111    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6772    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4338    0.2355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8186    0.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4338    1.2948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2698    1.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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  1 23  1  0  0  0  0
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  2 25  1  0  0  0  0
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  3 27  1  0  0  0  0
 27 28  1  0  0  0  0
  8 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  29  30
M  SBL   5  1  32
M  SMT   5  OCH3
M  SVB   5 32    0.3314   -0.7106
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  27  28
M  SBL   4  1  30
M  SMT   4  OCH3
M  SVB   4 30   -1.9842   -1.0073
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  25  26
M  SBL   3  1  28
M  SMT   3  OCH3
M  SVB   3 28   -2.8186   -0.4342
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  26
M  SMT   2  OCH3
M  SVB   2 26   -2.4614    0.7355
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24   -1.2698     1.011
S  SKP  8
ID	FL5FGCNS0024
KNApSAcK_ID	C00005066
NAME	Melibentin;3,5,6,7,8-Pentamethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-3,5,6,7,8-pentamethoxy-4H-1-benzopyran-4-one
CAS_RN	5071-42-1
FORMULA	C21H20O9
EXACTMASS	416.11073223799997
AVERAGEMASS	416.37809999999996
SMILES	O(C1)c(c2)c(ccc2C(O4)=C(C(c(c43)c(OC)c(c(c(OC)3)OC)OC)=O)OC)O1
M  END

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