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Mol:FL3FAEGS0004 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
42 46 0 0 0 0 0 0 0 0999 V2000<br />
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-5.0939 1.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
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-5.6254 0.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-6.4922 1.1575 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 />
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4 5 2 0 0 0 0<br />
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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 />
16 18 1 0 0 0 0<br />
1 19 1 0 0 0 0<br />
3 20 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 19 1 0 0 0 0<br />
26 30 1 0 0 0 0<br />
31 30 1 0 0 0 0<br />
32 33 1 1 0 0 0<br />
33 34 1 1 0 0 0<br />
35 34 1 1 0 0 0<br />
35 36 1 0 0 0 0<br />
36 32 1 0 0 0 0<br />
33 37 1 0 0 0 0<br />
34 38 1 0 0 0 0<br />
35 31 1 0 0 0 0<br />
39 40 1 0 0 0 0<br />
15 39 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
32 41 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 39 40<br />
M SBL 1 1 44<br />
M SMT 1 OCH3<br />
M SBV 1 44 -0.6798 -0.3925<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 41 42<br />
M SBL 2 1 46<br />
M SMT 2 CH2OH<br />
M SBV 2 46 0.0000 0.8515<br />
S SKP 5<br />
ID FL3FAEGS0004<br />
FORMULA C27H30O15<br />
EXACTMASS 594.15847029<br />
AVERAGEMASS 594.5181<br />
SMILES O(CC(O2)C(O)C(C(O)C(Oc(c5)cc(O)c(c45)C(=O)C=C(O4)c(c3)cc(O)c(OC)c3)2)O)C(C(O)1)OC(CO)C1O<br />
M END<br />
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