Mol:FL3F1CGS0004

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Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
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  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
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  8  9  2  0  0  0  0
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  1 18  1  0  0  0  0
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M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  29  30
M  SBL   2  1  32
M  SMT   2  CH2OH
M  SVB   2 32   -2.6962    0.4853
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  34
M  SMT   1  OCH3
M  SVB   1 34    3.2635    1.6718
S  SKP  8
ID	FL3F1CGS0004
KNApSAcK_ID	C00004137
NAME	7,4'-Dihydroxy-3'-methoxyflavone 7-glucoside
CAS_RN	33275-43-3
FORMULA	C22H22O10
EXACTMASS	446.121296924
AVERAGEMASS	446.40408
SMILES	c(c1O)(cc(C(O2)=CC(=O)c(c3)c2cc(O[C@@H]([C@@H](O)4)OC(CO)[C@H](O)[C@@H]4O)c3)cc1)OC
M  END

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