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Mol:FL63ACGS0023 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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36 42 1 0 0 0 0<br />
42 43 1 0 0 0 0<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 42 43<br />
M SBL 2 1 46<br />
M SMT 2 CH2OH<br />
M SVB 2 46 2.5471 2.5726<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 40 41<br />
M SBL 1 1 44<br />
M SMT 1 CH2OH<br />
M SVB 1 44 -2.7224 -0.3461<br />
S SKP 8<br />
ID FL63ACGS0023<br />
KNApSAcK_ID C00008859<br />
NAME Catechin 7,3'-di-O-beta-D-glucopyranoside<br />
CAS_RN 105330-53-8<br />
FORMULA C27H34O16<br />
EXACTMASS 614.18468504<br />
AVERAGEMASS 614.54926<br />
SMILES [C@@H](O)([C@H]5O)[C@@H]([C@@H](OC(CO)5)Oc(c1)cc(O2)c(C[C@@H]([C@@H](c(c3)cc(O[C@H](O4)[C@H]([C@H]([C@@H](O)C(CO)4)O)O)c(O)c3)2)O)c1O)O<br />
M END<br />
</pre></div>
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