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Mol:FLIAABGS0005 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
41 45 0 0 0 0 0 0 0 0999 V2000<br />
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-6.5747 2.5181 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 />
24 28 1 0 0 0 0<br />
22 1 1 0 0 0 0<br />
29 28 1 0 0 0 0<br />
11 30 1 0 0 0 0<br />
31 32 1 0 0 0 0<br />
32 33 1 0 0 0 0<br />
33 34 1 1 0 0 0<br />
35 34 1 1 0 0 0<br />
35 31 1 0 0 0 0<br />
32 36 1 0 0 0 0<br />
31 37 1 0 0 0 0<br />
35 29 1 0 0 0 0<br />
38 39 1 0 0 0 0<br />
16 38 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
32 40 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 38 39<br />
M SBL 1 1 43<br />
M SMT 1 OCH3<br />
M SBV 1 43 -0.6092 0.3517<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 40 41<br />
M SBL 2 1 45<br />
M SMT 2 CH2OH<br />
M SBV 2 45 0.0000 0.4483<br />
S SKP 5<br />
ID FLIAABGS0005<br />
FORMULA C27H30O14<br />
EXACTMASS 578.163555668<br />
AVERAGEMASS 578.5187000000001<br />
SMILES C(C1OCC(O2)C(O)C(C(O)C2Oc(c5)cc(c(c54)C(=O)C(=CO4)c(c3)ccc(OC)c3)O)O)(C(CO)(CO1)O)O<br />
M END<br />
</pre></div>
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