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Mol:FL3FFAGS0003 - 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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-2.1768 -2.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.1025 1.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.1059 1.4108 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 />
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 />
18 3 1 0 0 0 0<br />
19 15 1 0 0 0 0<br />
20 1 1 0 0 0 0<br />
6 21 1 0 0 0 0<br />
22 23 1 1 0 0 0<br />
23 24 1 1 0 0 0<br />
25 24 1 1 0 0 0<br />
25 26 1 0 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 />
23 29 1 0 0 0 0<br />
24 30 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 />
35 30 1 0 0 0 0<br />
33 37 1 0 0 0 0<br />
32 38 1 0 0 0 0<br />
31 39 1 0 0 0 0<br />
34 40 1 0 0 0 0<br />
25 20 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
27 41 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 41 42<br />
M SBL 1 1 46<br />
M SMT 1 ^CH2OH<br />
M SBV 1 46 0.7408 -0.6504<br />
S SKP 5<br />
ID FL3FFAGS0003<br />
FORMULA C27H30O15<br />
EXACTMASS 594.15847029<br />
AVERAGEMASS 594.5181<br />
SMILES C(C(O)1)(C(OC(C2O)C(Oc(c3)c(c(O4)c(C(C=C4c(c5)ccc(O)c5)=O)c(O)3)O)OC(C(O)2)CO)OC(C)C1O)O<br />
M END<br />
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