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Mol:FL3FCADS0005 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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10 5 1 0 0 0 0<br />
7 11 2 0 0 0 0<br />
3 12 1 0 0 0 0<br />
13 14 2 0 0 0 0<br />
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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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40 41 1 0 0 0 0<br />
1 40 1 0 0 0 0<br />
42 43 1 0 0 0 0<br />
34 42 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 38 39<br />
M SBL 1 1 43<br />
M SMT 1 ^ CH2OH<br />
M SBV 1 43 0.6319 -0.6159<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 40 41<br />
M SBL 2 1 45<br />
M SMT 2 ^ OCH3<br />
M SBV 2 45 0.6659 -0.3845<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 42 43<br />
M SBL 3 1 47<br />
M SMT 3 ^ CH2OH<br />
M SBV 3 47 0.5886 -0.5859<br />
S SKP 5<br />
ID FL3FCADS0005<br />
FORMULA C28H32O15<br />
EXACTMASS 608.174120354<br />
AVERAGEMASS 608.54468<br />
SMILES C(c12)(=O)C=C(c(c5)ccc(O)c5)Oc1cc(OC)c(C(C4O)OC(CO)C(C(O)4)O)c2OC(O3)C(O)C(C(C(CO)3)O)O<br />
M END<br />
</pre></div>
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