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Mol:FL3FAAGS0002 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
40 44 0 0 0 0 0 0 0 0999 V2000<br />
-0.3935 0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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4.4058 1.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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-4.8438 -0.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1 2 1 0 0 0 0<br />
2 3 2 0 0 0 0<br />
3 4 1 0 0 0 0<br />
4 5 2 0 0 0 0<br />
5 6 1 0 0 0 0<br />
6 1 2 0 0 0 0<br />
4 7 1 0 0 0 0<br />
7 8 1 0 0 0 0<br />
8 9 2 0 0 0 0<br />
9 10 1 0 0 0 0<br />
10 5 1 0 0 0 0<br />
9 11 1 0 0 0 0<br />
11 12 2 0 0 0 0<br />
12 13 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 11 1 0 0 0 0<br />
3 17 1 0 0 0 0<br />
1 18 1 0 0 0 0<br />
14 19 1 0 0 0 0<br />
7 20 2 0 0 0 0<br />
21 22 1 1 0 0 0<br />
22 23 1 1 0 0 0<br />
24 23 1 1 0 0 0<br />
24 25 1 0 0 0 0<br />
25 26 1 0 0 0 0<br />
26 21 1 0 0 0 0<br />
24 18 1 0 0 0 0<br />
23 27 1 0 0 0 0<br />
21 28 1 0 0 0 0<br />
22 29 1 0 0 0 0<br />
27 30 1 0 0 0 0<br />
30 31 1 0 0 0 0<br />
31 32 1 0 0 0 0<br />
32 33 1 1 0 0 0<br />
33 34 1 1 0 0 0<br />
30 34 1 1 0 0 0<br />
33 35 1 0 0 0 0<br />
34 36 1 0 0 0 0<br />
37 38 1 0 0 0 0<br />
26 37 1 0 0 0 0<br />
39 40 1 0 0 0 0<br />
33 39 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 37 38<br />
M SBL 1 1 42<br />
M SMT 1 ^ CH2OH<br />
M SBV 1 42 0.7303 -0.4416<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 39 40<br />
M SBL 2 1 44<br />
M SMT 2 CH2OH<br />
M SBV 2 44 0.0000 -0.6201<br />
S SKP 5<br />
ID FL3FAAGS0002<br />
FORMULA C26H28O14<br />
EXACTMASS 564.147905604<br />
AVERAGEMASS 564.49212<br />
SMILES c(c13)c(OC(O4)C(OC(O5)C(O)C(O)(C5)CO)C(O)C(C(CO)4)O)cc(c(C(C=C(O3)c(c2)ccc(c2)O)=O)1)O<br />
M END<br />
</pre></div>
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