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Mol:FL5FAAGA0003 - 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 />
-3.1748 1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.1748 0.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.4604 0.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.7459 0.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.7459 1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.4604 2.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.0315 0.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.3170 0.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.3170 1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.0315 2.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.0315 -0.2161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.3972 2.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.1254 1.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.8536 2.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.8536 2.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.1254 3.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.3972 2.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.4604 -0.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.8890 2.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.5816 3.4163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.1249 -1.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.9317 -2.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.6757 -1.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.9317 -0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.1249 -0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.3808 -1.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.4731 0.4443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.8649 0.1555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.1467 -2.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.7158 -2.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.2981 0.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.9374 0.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.8656 0.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.4637 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.3912 1.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.9374 0.5714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.8656 0.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.2247 -2.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.1423 -3.4164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.8656 -0.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.8890 -0.8203 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 />
22 30 1 0 0 0 0<br />
27 8 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 31 1 0 0 0 0<br />
32 36 1 0 0 0 0<br />
28 31 1 0 0 0 0<br />
33 37 1 0 0 0 0<br />
38 39 1 0 0 0 0<br />
21 38 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
33 40 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 38 39<br />
M SBL 1 1 43<br />
M SMT 1 CH2OH<br />
M SBV 1 43 -0.0998 0.8971<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 40 41<br />
M SBL 2 1 45<br />
M SMT 2 CH2OH<br />
M SBV 2 45 0.0000 0.6191<br />
S SKP 5<br />
ID FL5FAAGA0003<br />
FORMULA C26H28O15<br />
EXACTMASS 580.1428202259999<br />
AVERAGEMASS 580.49152<br />
SMILES c(O2)(c(C(C(OC(O5)C(C(O)C(C(CO)5)O)OC(C(O)4)OCC4(O)CO)=C2c(c3)ccc(c3)O)=O)1)cc(O)cc1O<br />
M END<br />
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