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Mol:FL5FAAGL0005 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
41 45 0 0 0 0 0 0 0 0999 V2000<br />
-3.5194 1.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.5194 0.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.8184 0.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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0.6336 -2.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.1685 0.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.8182 -0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.7539 -0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.6566 -0.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.0006 0.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.1820 -0.0980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.0954 -0.7258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.3738 -0.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.2202 0.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.0684 -3.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.6429 -3.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.1627 -2.2801 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 />
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 />
3 18 1 0 0 0 0<br />
1 19 1 0 0 0 0<br />
15 20 1 0 0 0 0<br />
22 21 1 1 0 0 0<br />
22 23 1 0 0 0 0<br />
23 24 1 0 0 0 0<br />
24 25 1 0 0 0 0<br />
25 26 1 1 0 0 0<br />
26 21 1 1 0 0 0<br />
25 27 1 0 0 0 0<br />
24 28 1 0 0 0 0<br />
23 29 1 0 0 0 0<br />
30 31 1 1 0 0 0<br />
31 32 1 1 0 0 0<br />
33 32 1 1 0 0 0<br />
33 34 1 0 0 0 0<br />
34 35 1 0 0 0 0<br />
35 30 1 0 0 0 0<br />
31 36 1 0 0 0 0<br />
32 37 1 0 0 0 0<br />
30 28 1 0 0 0 0<br />
33 38 1 0 0 0 0<br />
22 39 1 0 0 0 0<br />
27 8 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
21 40 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 0.1937 0.8194<br />
S SKP 5<br />
ID FL5FAAGL0005<br />
FORMULA C26H28O15<br />
EXACTMASS 580.1428202259999<br />
AVERAGEMASS 580.49152<br />
SMILES c(O4)(c(C(C(=C4c(c5)ccc(c5)O)OC(O2)C(OC(C3O)OCC(C3O)O)C(O)C(C2CO)O)=O)1)cc(O)cc1O<br />
M END<br />
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