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Mol:FL5FCCGS0005 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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1 40 1 0 0 0 0<br />
42 43 1 0 0 0 0<br />
24 42 1 0 0 0 0<br />
44 45 1 0 0 0 0<br />
34 44 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 40 41<br />
M SBL 1 1 45<br />
M SMT 1 ^ OCH3<br />
M SBV 1 45 0.7334 -0.4234<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 42 43<br />
M SBL 2 1 47<br />
M SMT 2 CH2OH<br />
M SBV 2 47 0.0000 1.2911<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 44 45<br />
M SBL 3 1 49<br />
M SMT 3 CH2OH<br />
M SBV 3 49 -0.6662 -0.1502<br />
S SKP 5<br />
ID FL5FCCGS0005<br />
FORMULA C28H32O17<br />
EXACTMASS 640.163949598<br />
AVERAGEMASS 640.54348<br />
SMILES O(C1OC(C2OC(=C4c(c5)cc(c(c5)O)O)C(c(c(O4)3)c(cc(c3)OC)O)=O)C(C(O)C(CO)O2)O)C(C(C(O)C(O)1)O)CO<br />
M END<br />
</pre></div>
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