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Mol:FL7AADGO0003 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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15 16 2 0 0 0 0<br />
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20 8 1 0 0 0 0<br />
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34 20 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
15 40 1 0 0 0 0<br />
42 43 1 0 0 0 0<br />
26 42 1 0 0 0 0<br />
M CHG 1 10 1<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 0.0000 -0.7351<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 0.5482 -0.5564<br />
S SKP 5<br />
ID FL7AADGS0003<br />
FORMULA C28H33O15<br />
EXACTMASS 609.181945386<br />
AVERAGEMASS 609.5526199999999<br />
SMILES OC(C1O)C(Oc(c2)c(c(c5)cc(c(O)c5)OC)[o+1]c(c4)c2c(cc4O)OC(C(O)3)OC(C(C(O)3)O)CO)OC(C(O)1)C<br />
M END<br />
</pre></div>
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