Mol:FLIAEAGS0001

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Copyright: ARM project http://www.metabolome.jp/
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
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 16 19  1  0  0  0  0
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  3 29  1  0  0  0  0
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 30 31  1  0  0  0  0
  2 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  30  31
M  SBL   2  1  33
M  SMT   2  CH2OH
M  SVB   2 33   -2.5535    0.9999
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  32  33
M  SBL   1  1  35
M  SMT   1  OCH3
M  SVB   1 35   -1.0638    0.0030
S  SKP  8
ID	FLIAEAGS0001
KNApSAcK_ID	C00002576
NAME	Tectoridin;Shekanin;Shekkanin;Tectorigenin 7-O-glucoside
CAS_RN	611-40-5
FORMULA	C22H22O11
EXACTMASS	462.116211546
AVERAGEMASS	462.40348000000006
SMILES	COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(c(C1=O)c(c3)OC=C1c(c2)ccc(c2)O)O
M  END

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