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Mol:FL3FACDS0002 - 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 />
1 12 1 0 0 0 0<br />
13 14 2 0 0 0 0<br />
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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21 22 1 1 0 0 0<br />
23 22 1 1 0 0 0<br />
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24 25 1 0 0 0 0<br />
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20 26 1 0 0 0 0<br />
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22 28 1 0 0 0 0<br />
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3 30 1 0 0 0 0<br />
31 32 1 0 0 0 0<br />
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32 19 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
34 40 1 0 0 0 0<br />
42 43 1 0 0 0 0<br />
25 42 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 CH2OH<br />
M SBV 1 45 -0.4532 -0.0343<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 -0.5548 -0.5548<br />
S SKP 5<br />
ID FL3FACDS0002<br />
FORMULA C27H30O16<br />
EXACTMASS 610.153384912<br />
AVERAGEMASS 610.5175<br />
SMILES c(OC(O5)C(C(C(O)C(CO)5)O)O)(c1)c(cc(C(O2)=CC(=O)c(c(O)3)c(c(C(C(O)4)OC(C(O)C(O)4)CO)c(c3)O)2)c1)O<br />
M END<br />
</pre></div>
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