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Mol:FL63ECGS0001 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
43 47 0 0 0 0 0 0 0 0999 V2000<br />
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10 5 1 0 0 0 0<br />
9 11 1 0 0 0 0<br />
11 12 2 0 0 0 0<br />
12 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 11 1 0 0 0 0<br />
17 14 1 0 0 0 0<br />
1 18 1 0 0 0 0<br />
8 19 1 0 0 0 0<br />
3 20 1 0 0 0 0<br />
15 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 />
31 32 1 1 0 0 0<br />
32 33 1 1 0 0 0<br />
34 33 1 1 0 0 0<br />
34 35 1 0 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 />
32 38 1 0 0 0 0<br />
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34 30 1 0 0 0 0<br />
19 23 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
2 40 1 0 0 0 0<br />
42 43 1 0 0 0 0<br />
36 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 ^ OCH3<br />
M SBV 1 45 0.6335 0.2987<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 0.4310 -0.5051<br />
S SKP 5<br />
ID FL63ECGS0001<br />
FORMULA C27H34O16<br />
EXACTMASS 614.18468504<br />
AVERAGEMASS 614.54926<br />
SMILES O(C)c(c(O)1)c(O)cc(O4)c1CC(C(c(c5)ccc(c(O)5)O)4)OC(O2)C(C(O)C(OC(O3)C(C(C(C3CO)O)O)O)C2)O<br />
M END<br />
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