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Mol:FL5FAIGS0003 - Revision history
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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 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 />
20 21 1 0 0 0 0<br />
21 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 />
20 26 1 0 0 0 0<br />
25 27 1 0 0 0 0<br />
24 28 1 0 0 0 0<br />
21 19 1 0 0 0 0<br />
19 8 1 0 0 0 0<br />
23 22 1 1 0 0 0<br />
15 29 1 0 0 0 0<br />
3 30 1 0 0 0 0<br />
31 32 2 0 0 0 0<br />
31 33 1 0 0 0 0<br />
23 31 1 0 0 0 0<br />
34 35 1 0 0 0 0<br />
14 34 1 0 0 0 0<br />
36 37 1 0 0 0 0<br />
16 36 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 3 31 32 33<br />
M SBL 1 1 36<br />
M SMT 1 COOH<br />
M SBV 1 36 -1.0842 0.2575<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 34 35<br />
M SBL 2 1 38<br />
M SMT 2 OCH3<br />
M SBV 2 38 -0.7196 0.4155<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 36 37<br />
M SBL 3 1 40<br />
M SMT 3 OCH3<br />
M SBV 3 40 0.0000 -0.7093<br />
S SKP 5<br />
ID FL5FAIGS0003<br />
FORMULA C23H22O14<br />
EXACTMASS 522.100955412<br />
AVERAGEMASS 522.41238<br />
SMILES c(C2=O)(c4O)c(cc(c4)O)OC(=C(OC(C(O)3)OC(C(O)C3O)C(O)=O)2)c(c1)cc(c(c1OC)O)OC<br />
M END<br />
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