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Mol:FL5FECGS0025 - Revision history
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<p><b>New page</b></p><div><pre><br />
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Copyright: ARM project http://www.metabolome.jp/<br />
37 40 0 0 0 0 0 0 0 0999 V2000<br />
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1.3252 -0.0892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
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-2.7815 0.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.5881 -0.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.8153 -0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
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2.9019 -2.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.4762 1.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.0431 2.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.4249 -1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
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-3.1937 1.3285 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 />
7 11 2 0 0 0 0<br />
9 12 1 0 0 0 0<br />
12 13 2 0 0 0 0<br />
13 14 1 0 0 0 0<br />
14 15 2 0 0 0 0<br />
15 16 1 0 0 0 0<br />
16 17 2 0 0 0 0<br />
17 12 1 0 0 0 0<br />
1 18 1 0 0 0 0<br />
3 19 1 0 0 0 0<br />
20 15 1 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 />
21 27 1 0 0 0 0<br />
22 28 1 0 0 0 0<br />
23 29 1 0 0 0 0<br />
24 18 1 0 0 0 0<br />
30 31 1 0 0 0 0<br />
8 30 1 0 0 0 0<br />
32 33 1 0 0 0 0<br />
16 32 1 0 0 0 0<br />
34 35 1 0 0 0 0<br />
2 34 1 0 0 0 0<br />
36 37 1 0 0 0 0<br />
26 36 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 30 31<br />
M SBL 1 1 34<br />
M SMT 1 OCH3<br />
M SBV 1 34 -0.7432 0.3748<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 32 33<br />
M SBL 2 1 36<br />
M SMT 2 OCH3<br />
M SBV 2 36 0.0059 -0.6560<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 34 35<br />
M SBL 3 1 38<br />
M SMT 3 ^ OCH3<br />
M SBV 3 38 0.6068 0.3377<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 36 37<br />
M SBL 4 1 40<br />
M SMT 4 ^ CH2OH<br />
M SBV 4 40 0.4657 -0.5184<br />
S SKP 5<br />
ID FL5FECGS0025<br />
FORMULA C24H26O13<br />
EXACTMASS 522.137340918<br />
AVERAGEMASS 522.45544<br />
SMILES c(c4O)(C2=O)c(cc(c4OC)OC(C3O)OC(CO)C(O)C3O)OC(=C(OC)2)c(c1)cc(c(c1)O)OC<br />
M END<br />
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