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Mol:FL5FBFGS0001 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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3 4 2 0 0 0 0<br />
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5 6 2 0 0 0 0<br />
6 1 1 0 0 0 0<br />
2 7 1 0 0 0 0<br />
7 8 1 0 0 0 0<br />
8 9 1 0 0 0 0<br />
9 10 2 0 0 0 0<br />
10 11 1 0 0 0 0<br />
11 12 1 0 0 0 0<br />
12 7 2 0 0 0 0<br />
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13 14 2 0 0 0 0<br />
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15 16 2 0 0 0 0<br />
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11 17 2 0 0 0 0<br />
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20 21 1 0 0 0 0<br />
21 22 1 1 0 0 0<br />
23 22 1 1 0 0 0<br />
24 23 1 1 0 0 0<br />
24 25 1 0 0 0 0<br />
25 20 1 0 0 0 0<br />
23 26 1 0 0 0 0<br />
22 27 1 0 0 0 0<br />
21 28 1 0 0 0 0<br />
20 29 1 0 0 0 0<br />
24 18 1 0 0 0 0<br />
30 31 1 0 0 0 0<br />
31 32 1 1 0 0 0<br />
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34 33 1 1 0 0 0<br />
34 35 1 0 0 0 0<br />
35 30 1 0 0 0 0<br />
33 36 1 0 0 0 0<br />
32 37 1 0 0 0 0<br />
31 38 1 0 0 0 0<br />
30 39 1 0 0 0 0<br />
34 19 1 0 0 0 0<br />
40 41 1 1 0 0 0<br />
41 42 1 1 0 0 0<br />
43 42 1 1 0 0 0<br />
43 44 1 0 0 0 0<br />
44 45 1 0 0 0 0<br />
45 40 1 0 0 0 0<br />
40 46 1 0 0 0 0<br />
41 47 1 0 0 0 0<br />
42 48 1 0 0 0 0<br />
43 36 1 0 0 0 0<br />
49 50 1 0 0 0 0<br />
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51 52 1 0 0 0 0<br />
16 51 1 0 0 0 0<br />
53 54 1 0 0 0 0<br />
45 53 1 0 0 0 0<br />
55 56 1 0 0 0 0<br />
4 55 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 49 50<br />
M SBL 1 1 55<br />
M SMT 1 OCH3<br />
M SBV 1 55 -0.7145 -0.4125<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 51 52<br />
M SBL 2 1 57<br />
M SMT 2 OCH3<br />
M SBV 2 57 0.0000 0.8250<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 53 54<br />
M SBL 3 1 59<br />
M SMT 3 ^ CH2OH<br />
M SBV 3 59 0.6193 0.4801<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 55 56<br />
M SBL 4 1 61<br />
M SMT 4 OCH3<br />
M SBV 4 61 0.0000 -0.8250<br />
S SKP 5<br />
ID FL5FBFGS0001<br />
FORMULA C36H46O20<br />
EXACTMASS 798.2582439119999<br />
AVERAGEMASS 798.7384400000001<br />
SMILES c(c6OC)(ccc(c6)C(O1)=C(OC(O5)C(C(C(O)C(C)5)O)OC(O4)C(C(O)C(C4CO)O)O)C(c(c3OC)c1cc(c3)OC(C(O)2)OC(C)C(O)C2O)=O)OC<br />
M END<br />
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