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Mol:FLNAACGS0002 - 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 />
0.8320 2.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.5508 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.2693 2.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.2693 1.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.0146 0.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.7597 1.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.7597 2.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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0.7883 -0.7950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.0160 0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.7392 0.4040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.4428 -1.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.6980 1.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.4368 1.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.1067 1.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.0631 0.6559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.9971 1.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.4368 2.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.6966 2.1916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.4385 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.5045 1.1958 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 2 0 0 0 0<br />
6 7 1 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 1 0 0 0 0<br />
11 12 2 0 0 0 0<br />
12 13 1 0 0 0 0<br />
13 14 2 0 0 0 0<br />
14 15 1 0 0 0 0<br />
15 16 2 0 0 0 0<br />
16 11 1 0 0 0 0<br />
7 17 2 0 0 0 0<br />
1 18 1 0 0 0 0<br />
14 19 1 0 0 0 0<br />
10 20 1 0 0 0 0<br />
21 22 1 1 0 0 0<br />
22 23 1 1 0 0 0<br />
24 23 1 1 0 0 0<br />
24 25 1 0 0 0 0<br />
25 26 1 0 0 0 0<br />
26 21 1 0 0 0 0<br />
21 27 1 0 0 0 0<br />
22 28 1 0 0 0 0<br />
23 29 1 0 0 0 0<br />
26 30 1 0 0 0 0<br />
24 20 1 0 0 0 0<br />
30 31 1 0 0 0 0<br />
15 32 1 0 0 0 0<br />
33 34 1 0 0 0 0<br />
34 35 1 0 0 0 0<br />
35 36 1 1 0 0 0<br />
37 36 1 1 0 0 0<br />
37 33 1 0 0 0 0<br />
34 38 1 0 0 0 0<br />
33 39 1 0 0 0 0<br />
37 31 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
34 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 0.0017 0.4899<br />
S SKP 5<br />
ID FLNAACGS0002<br />
FORMULA C26H28O15<br />
EXACTMASS 580.1428202259999<br />
AVERAGEMASS 580.49152<br />
SMILES c(c3)(O5)c(C(=CC5=O)c(c4)ccc(c(O)4)O)c(cc3O)OC(O1)C(O)C(C(C(COC(C2O)OCC2(CO)O)1)O)O<br />
M END<br />
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