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Mol:FL3FADCS0020 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
42 46 0 0 0 0 0 0 0 0999 V2000<br />
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6 1 2 0 0 0 0<br />
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7 8 1 0 0 0 0<br />
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10 5 1 0 0 0 0<br />
7 11 2 0 0 0 0<br />
1 12 1 0 0 0 0<br />
3 13 1 0 0 0 0<br />
14 15 2 0 0 0 0<br />
15 16 1 0 0 0 0<br />
16 17 2 0 0 0 0<br />
17 18 1 0 0 0 0<br />
18 19 2 0 0 0 0<br />
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14 9 1 0 0 0 0<br />
20 21 1 1 0 0 0<br />
21 22 1 1 0 0 0<br />
23 22 1 1 0 0 0<br />
23 24 1 0 0 0 0<br />
24 25 1 0 0 0 0<br />
25 20 1 0 0 0 0<br />
20 26 2 0 0 0 0<br />
21 27 1 0 0 0 0<br />
22 28 1 0 0 0 0<br />
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30 31 1 1 0 0 0<br />
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33 34 1 0 0 0 0<br />
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29 35 1 0 0 0 0<br />
30 36 1 0 0 0 0<br />
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32 28 1 0 0 0 0<br />
25 38 1 0 0 0 0<br />
34 39 1 0 0 0 0<br />
23 2 1 0 0 0 0<br />
17 40 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
18 41 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 41 42<br />
M SBL 1 1 46<br />
M SMT 1 OCH3<br />
M SBV 1 46 0.0000 -0.7094<br />
S SKP 5<br />
ID FL3FADCS0020<br />
FORMULA C28H30O14<br />
EXACTMASS 590.163555668<br />
AVERAGEMASS 590.5294<br />
SMILES C(C1=O)=C(c(c5)cc(c(O)c5)OC)Oc(c2)c1c(O)c(C(C3OC(C4O)OC(C)C(C(O)4)O)OC(C)C(C3O)=O)c2O<br />
M END<br />
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