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Mol:FL3FCCCS0004 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
43 47 0 0 0 0 0 0 0 0999 V2000<br />
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2 3 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 />
13 9 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 />
21 27 1 0 0 0 0<br />
22 28 1 0 0 0 0<br />
29 30 1 0 0 0 0<br />
30 31 1 1 0 0 0<br />
31 32 1 1 0 0 0<br />
33 32 1 1 0 0 0<br />
33 34 1 0 0 0 0<br />
34 29 1 0 0 0 0<br />
29 35 1 0 0 0 0<br />
30 36 1 0 0 0 0<br />
31 37 1 0 0 0 0<br />
32 38 1 0 0 0 0<br />
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23 2 1 0 0 0 0<br />
17 39 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
1 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 ^ OCH3<br />
M SBV 1 45 0.6844 -0.4223<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 0.4599 -0.4859<br />
S SKP 5<br />
ID FL3FCCCS0004<br />
FORMULA C28H32O15<br />
EXACTMASS 608.174120354<br />
AVERAGEMASS 608.54468<br />
SMILES C(C1OC(O5)C(O)C(O)C(C(C)5)O)(c(c4O)c(OC)cc(c43)OC(=CC3=O)c(c2)cc(c(c2)O)O)OC(C(O)C1O)CO<br />
M END<br />
</pre></div>
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