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Mol:FL3FADCS0005 - 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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10 5 1 0 0 0 0<br />
7 11 2 0 0 0 0<br />
1 12 1 0 0 0 0<br />
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14 15 1 0 0 0 0<br />
15 16 2 0 0 0 0<br />
16 17 1 0 0 0 0<br />
17 18 2 0 0 0 0<br />
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33 28 1 0 0 0 0<br />
39 40 1 0 0 0 0<br />
17 39 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
25 41 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 39 40<br />
M SBL 1 1 44<br />
M SMT 1 OCH3<br />
M SBV 1 44 -0.3762 -0.7471<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 41 42<br />
M SBL 2 1 46<br />
M SMT 2 CH2OH<br />
M SBV 2 46 -0.4773 -0.4773<br />
S SKP 5<br />
ID FL3FADCS0005<br />
FORMULA C27H30O15<br />
EXACTMASS 594.15847029<br />
AVERAGEMASS 594.5181<br />
SMILES OC(C(O)1)C(O)COC(OC(C5O)C(OC(C(O)5)CO)c(c24)c(cc(c(C(=O)C=C(O4)c(c3)ccc(c3OC)O)2)O)O)1<br />
M END<br />
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