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Mol:FL5FACGL0002 - Revision history
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<p><b>New page</b></p><div><pre><br />
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Copyright: ARM project http://www.metabolome.jp/<br />
42 46 0 0 0 0 0 0 0 0999 V2000<br />
-3.2031 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.2031 0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.5019 0.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.8007 0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.8007 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.5019 1.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.0994 0.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.3982 0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.3982 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.0994 1.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.0994 -0.4413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.3027 1.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.0175 1.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.7322 1.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.7322 2.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.0175 3.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.3027 2.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.9041 1.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.3950 0.3236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.5019 -0.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.5312 3.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.7560 -0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.0214 -0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.2545 -1.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.0214 -2.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.6583 -2.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.5230 -1.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.7104 -0.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.1522 -2.1493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.4175 -3.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.1864 0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.8117 -0.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.8997 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.5304 0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.2925 0.7773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.8117 0.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.8997 0.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.0175 4.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.0538 -2.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.2987 -4.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.8997 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.9041 -1.1839 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 31 1 0 0 0 0<br />
32 36 1 0 0 0 0<br />
33 37 1 0 0 0 0<br />
28 31 1 0 0 0 0<br />
16 38 1 0 0 0 0<br />
39 40 1 0 0 0 0<br />
25 39 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
33 41 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 39 40<br />
M SBL 1 1 44<br />
M SMT 1 ^ CH2OH<br />
M SBV 1 44 0.0752 0.7468<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 41 42<br />
M SBL 2 1 46<br />
M SMT 2 CH2OH<br />
M SBV 2 46 0.0000 0.6641<br />
S SKP 5<br />
ID FL5FACGL0002<br />
FORMULA C26H28O16<br />
EXACTMASS 596.137734848<br />
AVERAGEMASS 596.49092<br />
SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)OC(O2)C(C(O)C(C(CO)2)O)OC(C(O)1)OCC1(O)CO)=O)O<br />
M END<br />
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