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Mol:FL3FADCS0007 - 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 />
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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 2 1 0 0 0 0<br />
39 40 1 0 0 0 0<br />
15 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 -1.1122 0.6422<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 -0.5047 0.2914<br />
S SKP 5<br />
ID FL3FADCS0007<br />
FORMULA C27H30O15<br />
EXACTMASS 594.15847029<br />
AVERAGEMASS 594.5181<br />
SMILES C(C5O)OC(C(C5O)O)c(c1O)c(c(C(=O)4)c(OC(=C4)c(c3)cc(OC)c(O)c3)c1C(O2)C(C(C(O)C2CO)O)O)O<br />
M END<br />
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