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Mol:FLIAACGS0004 - 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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-3.0829 -0.8481 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 7 1 0 0 0 0<br />
7 8 2 0 0 0 0<br />
8 9 1 0 0 0 0<br />
9 4 1 0 0 0 0<br />
2 10 1 0 0 0 0<br />
10 11 2 0 0 0 0<br />
11 5 1 0 0 0 0<br />
6 12 2 0 0 0 0<br />
7 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 17 1 0 0 0 0<br />
17 18 2 0 0 0 0<br />
18 13 1 0 0 0 0<br />
19 20 1 1 0 0 0<br />
20 21 1 1 0 0 0<br />
22 21 1 1 0 0 0<br />
22 23 1 0 0 0 0<br />
23 24 1 0 0 0 0<br />
24 19 1 0 0 0 0<br />
19 25 1 0 0 0 0<br />
20 26 1 0 0 0 0<br />
21 27 1 0 0 0 0<br />
22 1 1 0 0 0 0<br />
11 28 1 0 0 0 0<br />
16 29 1 0 0 0 0<br />
17 30 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 />
35 36 1 0 0 0 0<br />
36 31 1 0 0 0 0<br />
31 37 1 0 0 0 0<br />
32 38 1 0 0 0 0<br />
33 39 1 0 0 0 0<br />
34 27 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
24 40 1 0 0 0 0<br />
42 43 1 0 0 0 0<br />
36 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 0.5665 -0.5987<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 0.8226 -0.2703<br />
S SKP 5<br />
ID FLIAACGS0004<br />
FORMULA C27H30O16<br />
EXACTMASS 610.153384912<br />
AVERAGEMASS 610.5175<br />
SMILES C(=O)(c23)C(=COc(cc(OC(O5)C(C(O)C(C5CO)O)OC(O4)C(C(O)C(C4CO)O)O)cc(O)3)2)c(c1)ccc(c(O)1)O<br />
M END<br />
</pre></div>
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