Mol:FL5FALNS0017

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
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   -0.7507    0.2922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4956    0.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286    1.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2998   -1.1530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5853   -1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624    1.2740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7769    0.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3616   -0.2079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6716   -1.1713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0044    1.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2768    1.4559    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
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 26 27  1  0  0  0  0
  1 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  2  28  29
M  SBL   6  1  30
M  SMT   6  OCH3
M  SVB   6 30   -2.7769    0.5898
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  26  27
M  SBL   5  1  28
M  SMT   5  OCH3
M  SVB   5 28    0.0044    1.5655
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  24  25
M  SBL   4  1  26
M  SMT   4  OCH3
M  SVB   4 26    0.0044   -0.8776
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  22  23
M  SBL   3  1  24
M  SMT   3  OCH3
M  SVB   3 24    1.7052    0.0858
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  22
M  SMT   2  OCH3
M  SVB   2 22    2.0624     1.274
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  20
M  SMT   1  OCH3
M  SVB   1 20   -2.2998    -1.153
S  SKP  8
ID	FL5FALNS0017
KNApSAcK_ID	C00004758
NAME	3,5,7,2',4',5'-Hexamethoxyflavone
CAS_RN	21829-45-8
FORMULA	C21H22O8
EXACTMASS	402.13146768
AVERAGEMASS	402.39458
SMILES	COc(c1)c(C(O2)=C(C(c(c3OC)c2cc(c3)OC)=O)OC)cc(OC)c1OC
M  END

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