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Mol:FL63ACGS0022 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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1 2 2 0 0 0 0<br />
2 3 1 0 0 0 0<br />
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8 9 1 0 0 0 0<br />
9 10 1 0 0 0 0<br />
10 5 1 0 0 0 0<br />
9 11 1 6 0 0 0<br />
11 12 2 0 0 0 0<br />
12 13 1 0 0 0 0<br />
13 14 2 0 0 0 0<br />
14 15 1 0 0 0 0<br />
15 16 2 0 0 0 0<br />
16 11 1 0 0 0 0<br />
17 14 1 0 0 0 0<br />
1 18 1 0 0 0 0<br />
8 19 1 1 0 0 0<br />
15 20 1 0 0 0 0<br />
3 21 1 0 0 0 0<br />
22 23 1 1 0 0 0<br />
23 24 1 1 0 0 0<br />
25 24 1 1 0 0 0<br />
25 26 1 0 0 0 0<br />
26 27 1 0 0 0 0<br />
27 22 1 0 0 0 0<br />
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24 30 1 0 0 0 0<br />
25 21 1 0 0 0 0<br />
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32 17 1 0 0 0 0<br />
27 40 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
34 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 4.1563 1.4146<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 -3.8377 -0.6115<br />
S SKP 8<br />
ID FL63ACGS0022<br />
KNApSAcK_ID C00008858<br />
NAME Catechin 5,4'-di-O-beta-D-glucopyranoside<br />
CAS_RN 105330-56-1<br />
FORMULA C27H34O16<br />
EXACTMASS 614.18468504<br />
AVERAGEMASS 614.54926<br />
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<br />
M END<br />
</pre></div>
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