Mol:FL5FECNS0013

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Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.3011   -1.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552   -1.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3757   -1.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5420   -2.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0878   -2.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4673   -2.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625   -2.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3287   -2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8745   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8426   -4.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3796   -5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2844   -5.6033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1175   -1.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9394   -1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6109   -2.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3550   -2.2954    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
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  8 18  1  0  0  0  0
  3 19  1  0  0  0  0
 16 20  1  0  0  0  0
 15 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  1 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  24  25
M  SBL   2  1  26
M  SMT   2  OCH3
M  SVB   2 26    -2.241    0.4428
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24   -2.5983   -0.7269
S  SKP  8
ID	FL5FECNS0013
KNApSAcK_ID	C00004688
NAME	Eupatolitin;3,3',4',5-tetrahydroxy-6,7-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one
CAS_RN	29536-44-5
FORMULA	C17H14O8
EXACTMASS	346.068867424
AVERAGEMASS	346.28826
SMILES	COc(c1)c(OC)c(O)c(C(=O)2)c1OC(c(c3)cc(O)c(O)c3)=C(O)2
M  END

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