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Mol:FL5FAAGA0012 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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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 />
3 18 1 0 0 0 0<br />
1 19 1 0 0 0 0<br />
15 20 1 0 0 0 0<br />
8 21 1 0 0 0 0<br />
22 23 1 0 0 0 0<br />
23 24 1 1 0 0 0<br />
24 25 1 1 0 0 0<br />
26 25 1 1 0 0 0<br />
26 27 1 0 0 0 0<br />
27 22 1 0 0 0 0<br />
22 28 1 0 0 0 0<br />
27 29 1 0 0 0 0<br />
26 30 1 0 0 0 0<br />
23 21 1 0 0 0 0<br />
31 32 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 31 1 0 0 0 0<br />
31 37 1 0 0 0 0<br />
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35 39 1 0 0 0 0<br />
32 20 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
25 40 1 0 0 0 0<br />
42 43 1 0 0 0 0<br />
34 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 -0.8388 -0.1151<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 -0.7008 -0.0478<br />
S SKP 5<br />
ID FL5FAAGA0012<br />
FORMULA C27H30O16<br />
EXACTMASS 610.153384912<br />
AVERAGEMASS 610.5175<br />
SMILES c(c1)(O3)c(C(C(=C(c(c4)ccc(OC(O5)C(O)C(O)C(O)C5CO)c4)3)OC(C(O)2)OC(C(C(O)2)O)CO)=O)c(O)cc(O)1<br />
M END<br />
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