Mol:FL63ACGS0022

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  42  43
M  SBL   2  1  46
M  SMT   2  CH2OH
M  SVB   2 46    4.1563    1.4146
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  40  41
M  SBL   1  1  44
M  SMT   1  CH2OH
M  SVB   1 44   -3.8377   -0.6115
S  SKP  8
ID	FL63ACGS0022
KNApSAcK_ID	C00008858
NAME	Catechin 5,4'-di-O-beta-D-glucopyranoside
CAS_RN	105330-56-1
FORMULA	C27H34O16
EXACTMASS	614.18468504
AVERAGEMASS	614.54926
SMILES	O([C@@H](Oc(c2)c(C5)c(O[C@@H]([C@H]5O)c(c4)ccc(c4O)O[C@H](O3)C(C([C@@H](O)[C@@H](CO)3)O)O)cc2O)1)C(CO)[C@H](O)[C@@H]([C@@H]1O)O
M  END

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