Mol:FL5FF8NS0004

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Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
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    0.4462   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5693   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1362    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1362    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0023    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1362    0.4428    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
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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  3 18  1  0  0  0  0
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  6 21  1  0  0  0  0
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  1 23  1  0  0  0  0
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  8 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  25  26
M  SBL   3  1  27
M  SMT   3  OCH3
M  SVB   3 27    0.6451   -1.0246
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  25
M  SMT   2  OCH3
M  SVB   2 25   -2.1362    0.4428
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1  OCH3
M  SVB   1 23   -0.9447    0.7182
S  SKP  8
ID	FL5FF8NS0004
KNApSAcK_ID	C00004714
NAME	5,2',3'-Trihydroxy-3,7,8-trimethoxyflavone
CAS_RN	117259-16-2
FORMULA	C18H16O8
EXACTMASS	360.08451748799996
AVERAGEMASS	360.31484
SMILES	c(c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC)=O)OC)1)(O)c(O)ccc1
M  END

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