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Mol:FL5FECGS0059 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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40 37 1 0 0 0 0<br />
38 40 1 0 0 0 0<br />
33 37 1 0 0 0 0<br />
26 19 1 0 0 0 0<br />
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65 66 1 0 0 0 0<br />
56 65 1 0 0 0 0<br />
67 68 1 0 0 0 0<br />
34 67 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 61 62<br />
M SBL 1 1 68<br />
M SMT 1 ^ CH2OH<br />
M SBV 1 68 0.4201 -0.7277<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 63 64<br />
M SBL 2 1 70<br />
M SMT 2 ^ OCH3<br />
M SBV 2 70 0.7172 0.2609<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 65 66<br />
M SBL 3 1 72<br />
M SMT 3 ^ OCH3<br />
M SBV 3 72 0.5929 0.3423<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 67 68<br />
M SBL 4 1 74<br />
M SMT 4 ^ CH2OH<br />
M SBV 4 74 0.6518 -0.6518<br />
S SKP 5<br />
ID FL5FECGS0059<br />
FORMULA C43H48O25<br />
EXACTMASS 964.2484670859999<br />
AVERAGEMASS 964.82622<br />
SMILES C(OCC(O3)C(O)C(O)C(OC(C7O)OCC(O)7CO)C3OC(=C5c(c6)cc(O)c(c6)O)C(c(c4O)c(O5)cc(O)c(OC)4)=O)(O2)C(C(O)C(C2CO)O)OC(C=Cc(c1)cc(OC)c(O)c1)=O<br />
M END<br />
</pre></div>
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