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Mol:FL3FACDS0005 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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2 3 2 0 0 0 0<br />
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6 1 2 0 0 0 0<br />
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8 9 2 0 0 0 0<br />
9 10 1 0 0 0 0<br />
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 />
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 />
18 13 1 0 0 0 0<br />
9 13 1 0 0 0 0<br />
16 19 1 0 0 0 0<br />
20 21 1 1 0 0 0<br />
21 22 1 1 0 0 0<br />
23 22 1 1 0 0 0<br />
23 24 1 0 0 0 0<br />
24 25 1 0 0 0 0<br />
25 20 1 0 0 0 0<br />
20 26 1 0 0 0 0<br />
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2 23 1 0 0 0 0<br />
1 28 1 0 0 0 0<br />
22 29 1 0 0 0 0<br />
30 31 1 0 0 0 0<br />
31 32 1 1 0 0 0<br />
32 33 1 1 0 0 0<br />
34 33 1 1 0 0 0<br />
34 35 1 0 0 0 0<br />
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15 39 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
25 40 1 0 0 0 0<br />
42 43 1 0 0 0 0<br />
33 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 0.4534 -0.4960<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 -0.6495 0.0000<br />
S SKP 5<br />
ID FL3FACDS0005<br />
FORMULA C27H30O16<br />
EXACTMASS 610.153384912<br />
AVERAGEMASS 610.5175<br />
SMILES OCC(O1)C(O)C(O)C(C(c(c5O)c(O)cc(c25)OC(c(c3)ccc(OC(O4)C(C(C(O)C(CO)4)O)O)c(O)3)=CC2=O)1)O<br />
M END<br />
</pre></div>
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