Mol:FL5FGANI0002

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Copyright: ARM project http://www.metabolome.jp/
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  4  5  2  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  31  32
M  SBL   3  1  33
M  SMT   3  OCH3
M  SVB   3 33    2.7178    1.1426
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  29  30
M  SBL   2  1  31
M  SMT   2  OCH3
M  SVB   2 31    0.6598    -1.009
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  27  28
M  SBL   1  1  29
M  SMT   1  OCH3
M  SVB   1 29   -2.4787   -0.7113
S  SKP  8
ID	FL5FGANI0002
KNApSAcK_ID	C00004934
NAME	5,7,8-Trihydroxy-3,6,4'-trimethoxy-flavone 8-isovalerate
CAS_RN	142609-03-8
FORMULA	C23H24O9
EXACTMASS	444.14203236599997
AVERAGEMASS	444.43126
SMILES	O(C)c(c3)ccc(c3)C(O2)=C(OC)C(=O)c(c21)c(O)c(c(c1OC(CC(C)C)=O)O)OC
M  END

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