Mol:FL5FEGNS0001

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Copyright: ARM project http://www.metabolome.jp/
 26 28  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
   -2.2540   -3.2587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5166   -1.9962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0407   -4.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6731   -4.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
   -2.7472   -5.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5777   -4.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6808   -1.6853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4748   -5.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2844   -5.6033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -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
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
 16 22  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
  8 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  25  26
M  SBL   2  1  27
M  SMT   2  OCH3
M  SVB   2 27    0.5403   -1.0246
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  25
M  SMT   1  OCH3
M  SVB   1 25   -2.5983   -0.7269
S  SKP  8
ID	FL5FEGNS0001
KNApSAcK_ID	C00004821
NAME	5,7,3',4',5'-Pentahydroxy-3,6-dimethoxyflavone
CAS_RN	101021-26-5
FORMULA	C17H14O9
EXACTMASS	362.06378204600003
AVERAGEMASS	362.28765999999996
SMILES	COc(c(O)3)c(O)c(C(=O)1)c(c3)OC(c(c2)cc(O)c(O)c(O)2)=C(OC)1
M  END

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