Mol:FL5FECNS0009

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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
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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
   -4.2946   -3.2296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2605   -3.4885    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
  1 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
  8 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    0.5403   -1.0246
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	FL5FECNS0009
KNApSAcK_ID	C00004684
NAME	Axillarin;3,6-Dimethoxy-5,7,3',4'-tetrahydroxyflavone;Quercetagetin 3,6-dimethyl ether;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-1-benzopyran-4-one
CAS_RN	5188-73-8
FORMULA	C17H14O8
EXACTMASS	346.068867424
AVERAGEMASS	346.28826
SMILES	COc(c(O)3)c(O)c(C(=O)1)c(c3)OC(c(c2)cc(O)c(O)c2)=C(OC)1
M  END

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