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Mol:FLIA1AGS0009 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
39 43 0 0 0 0 0 0 0 0999 V2000<br />
-2.1994 1.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.4786 1.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.7579 1.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.7579 0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.0103 0.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.7369 0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.7369 1.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.0103 1.8529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.1994 0.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.4786 0.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.0103 -0.5508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.4839 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.4839 -0.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.1984 -1.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.9130 -0.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.9130 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.1984 0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.6801 -1.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.8925 1.7795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-5.2301 1.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.7658 1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.0974 1.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.4525 1.4079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.9212 1.8767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.6040 1.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-5.8671 1.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-5.4314 1.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.4635 0.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.0687 -0.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.6658 -1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
5.3934 -1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
6.0512 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
5.0113 -0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.6658 -0.5762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
5.3934 -0.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-5.0823 2.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-6.0512 2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
5.3934 -1.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
5.1826 -2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1 2 2 0 0 0 0<br />
2 3 1 0 0 0 0<br />
3 4 2 0 0 0 0<br />
4 5 1 0 0 0 0<br />
5 6 1 0 0 0 0<br />
6 7 2 0 0 0 0<br />
7 8 1 0 0 0 0<br />
8 3 1 0 0 0 0<br />
1 9 1 0 0 0 0<br />
9 10 2 0 0 0 0<br />
10 4 1 0 0 0 0<br />
5 11 2 0 0 0 0<br />
6 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 15 1 0 0 0 0<br />
1 19 1 0 0 0 0<br />
20 21 1 1 0 0 0<br />
21 22 1 1 0 0 0<br />
23 22 1 1 0 0 0<br />
23 24 1 0 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 />
21 27 1 0 0 0 0<br />
22 28 1 0 0 0 0<br />
19 23 1 0 0 0 0<br />
29 30 1 1 0 0 0<br />
30 31 1 1 0 0 0<br />
32 31 1 1 0 0 0<br />
32 33 1 0 0 0 0<br />
33 29 1 0 0 0 0<br />
30 34 1 0 0 0 0<br />
31 35 1 0 0 0 0<br />
18 29 1 0 0 0 0<br />
36 37 1 0 0 0 0<br />
25 36 1 0 0 0 0<br />
38 39 1 0 0 0 0<br />
31 38 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 36 37<br />
M SBL 1 1 41<br />
M SMT 1 ^ CH2OH<br />
M SBV 1 41 0.4783 -0.5717<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 38 39<br />
M SBL 2 1 43<br />
M SMT 2 CH2OH<br />
M SBV 2 43 0.0000 0.6296<br />
S SKP 5<br />
ID FLIA1AGS0009<br />
FORMULA C26H28O13<br />
EXACTMASS 548.152990982<br />
AVERAGEMASS 548.49272<br />
SMILES O(c(c5)cc(c2c5)OC=C(c(c4)ccc(c4)OC(O3)C(C(O)(C3)CO)O)C2=O)C(C(O)1)OC(C(O)C(O)1)CO<br />
M END<br />
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