Mol:FL5FA8NS0007

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Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
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    0.4462   -0.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101    0.2922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101   -1.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5693    1.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0023    0.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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 17 26  1  0  0  0  0
 26 27  1  0  0  0  0
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    0.6451    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    1.1382   -0.1989
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    0.6451   -0.8776
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   -1.6591    -1.153
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   -2.1362    0.5898
S  SKP  8
ID	FL5FA8NS0007
KNApSAcK_ID	C00004630
NAME	3,5,7,2',6'-Pentamethoxyflavone
CAS_RN	-
FORMULA	C20H20O7
EXACTMASS	372.120902994
AVERAGEMASS	372.3686
SMILES	COc(c1)c(C(O2)=C(C(c(c3OC)c2cc(c3)OC)=O)OC)c(cc1)OC
M  END

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