Mol:FLIAFAGS0001

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Copyright: ARM project http://www.metabolome.jp/
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 32 33  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  32  33
M  SBL   2  1  35
M  SMT   2  CH2OH
M  SVB   2 35   -2.5044    0.8951
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  33
M  SMT   1  OCH3
M  SVB   1 33    0.2654    1.4239
S  SKP  8
ID	FLIAFAGS0001
KNApSAcK_ID	C00010172
NAME	Isotectorigenin 7-O-glucoside
CAS_RN	13431-07-7
FORMULA	C22H22O11
EXACTMASS	462.116211546
AVERAGEMASS	462.40348000000006
SMILES	c(c1C(C2=O)=COc(c(OC)3)c2c(O)cc3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)cc(cc1)O
M  END

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