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Mol:FL7AAGGA0002 - 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 />
-3.3313 1.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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0.7650 -0.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.0125 -2.3810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
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2.0237 -0.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.7666 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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2.9625 -0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.3126 -0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.3238 -0.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.3587 -0.9322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.0455 -0.3325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.1949 -3.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.1124 -3.7784 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 2 0 0 0 0<br />
8 9 1 0 0 0 0<br />
9 10 2 0 0 0 0<br />
10 5 1 0 0 0 0<br />
9 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 />
1 17 1 0 0 0 0<br />
14 18 1 0 0 0 0<br />
3 19 1 0 0 0 0<br />
20 8 1 0 0 0 0<br />
15 21 1 0 0 0 0<br />
13 22 1 0 0 0 0<br />
23 24 1 0 0 0 0<br />
24 25 1 1 0 0 0<br />
25 26 1 1 0 0 0<br />
27 26 1 1 0 0 0<br />
27 28 1 0 0 0 0<br />
28 23 1 0 0 0 0<br />
23 29 1 0 0 0 0<br />
28 30 1 0 0 0 0<br />
27 31 1 0 0 0 0<br />
32 33 1 1 0 0 0<br />
33 34 1 1 0 0 0<br />
35 34 1 1 0 0 0<br />
35 36 1 0 0 0 0<br />
36 37 1 0 0 0 0<br />
37 32 1 0 0 0 0<br />
33 38 1 0 0 0 0<br />
34 39 1 0 0 0 0<br />
35 40 1 0 0 0 0<br />
29 32 1 0 0 0 0<br />
24 20 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
26 41 1 0 0 0 0<br />
M CHG 1 10 1<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 -0.0821 0.7948<br />
S SKP 5<br />
ID FL7AAGGA0002<br />
FORMULA C26H29O16<br />
EXACTMASS 597.1455598800001<br />
AVERAGEMASS 597.4988599999999<br />
SMILES C(C(O)1)(C(OC(C5O)OCC(C5O)O)C(Oc(c2)c(c(c4)cc(O)c(c(O)4)O)[o+1]c(c3)c(c(cc3O)O)2)OC1CO)O<br />
M END<br />
</pre></div>
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