Mol:FL1C3CGS0020

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Copyright: ARM project http://www.metabolome.jp/
 35 37  0  0  0  0  0  0  0  0999 V2000
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M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  30  31
M  SBL   4  1  32
M  SMT   4  CH2OH
M  SVB   4 32   -3.5091    0.8977
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  34  35
M  SBL   3  1  36
M  SMT   3  OCH3
M  SVB   3 36    3.2445   -0.3596
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  32  33
M  SBL   2  1  34
M  SMT   2  OCH3
M  SVB   2 34    3.6017    0.7791
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  28  29
M  SBL   1  1  30
M  SMT   1  OCH3
M  SVB   1 30   -2.0656   -0.1341
S  SKP  8
ID	FL1C3CGS0020
KNApSAcK_ID	C00007911
NAME	Okanin 3,4,3'-trimethyl ether 4'-glucoside
CAS_RN	94285-18-4
FORMULA	C24H28O11
EXACTMASS	492.163161738
AVERAGEMASS	492.47252000000003
SMILES	[C@H]([C@@H](O)3)(O)[C@@H](OC([C@H](O)3)CO)Oc(c1OC)ccc(C(C=Cc(c2)ccc(c2OC)OC)=O)c(O)1
M  END

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