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Mol:FL5FACGL0003 - 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 />
-2.9579 1.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.9579 0.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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-1.5555 0.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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1.2626 1.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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1.9773 2.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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0.0810 -2.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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1.0419 -2.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.6229 -3.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.3974 -0.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.1266 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.8215 -0.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.5678 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.8781 0.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.2954 -0.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.5425 -0.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.2305 -0.3231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.6589 -0.8023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.2626 3.6617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.0683 -3.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.1919 -3.6347 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 />
1 18 1 0 0 0 0<br />
8 19 1 0 0 0 0<br />
3 20 1 0 0 0 0<br />
21 15 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 />
23 19 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 />
32 37 1 0 0 0 0<br />
33 38 1 0 0 0 0<br />
28 31 1 0 0 0 0<br />
34 39 1 0 0 0 0<br />
16 40 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
25 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 0.0127 1.0794<br />
S SKP 5<br />
ID FL5FACGL0003<br />
FORMULA C26H28O16<br />
EXACTMASS 596.137734848<br />
AVERAGEMASS 596.49092<br />
SMILES c(c5O)c(c(c(c5)1)C(C(OC(C(OC(C4O)OCC(C4O)O)3)OC(CO)C(C3O)O)=C(c(c2)ccc(O)c2O)O1)=O)O<br />
M END<br />
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