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Mol:FLIA1AGS0013 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
40 44 0 0 0 0 0 0 0 0999 V2000<br />
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0.0926 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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-3.6508 1.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-6.4019 2.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-5.8898 1.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-5.1525 1.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.3843 1.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.9582 2.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-5.7112 1.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-7.0359 1.8116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-6.5923 1.3860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.5623 1.2362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
5.8833 -1.5016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
7.0359 -2.1671 0.0000 C 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 7 1 0 0 0 0<br />
7 8 2 0 0 0 0<br />
8 9 1 0 0 0 0<br />
9 4 1 0 0 0 0<br />
2 10 1 0 0 0 0<br />
10 11 2 0 0 0 0<br />
11 5 1 0 0 0 0<br />
6 12 2 0 0 0 0<br />
7 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 17 1 0 0 0 0<br />
17 18 2 0 0 0 0<br />
18 13 1 0 0 0 0<br />
19 20 1 1 0 0 0<br />
20 21 1 1 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 19 1 0 0 0 0<br />
19 25 1 0 0 0 0<br />
20 26 1 0 0 0 0<br />
21 27 1 0 0 0 0<br />
22 1 1 0 0 0 0<br />
24 28 1 0 0 0 0<br />
28 29 1 0 0 0 0<br />
30 31 1 1 0 0 0<br />
31 32 1 1 0 0 0<br />
33 32 1 1 0 0 0<br />
33 34 1 0 0 0 0<br />
34 35 1 0 0 0 0<br />
35 30 1 0 0 0 0<br />
30 36 1 0 0 0 0<br />
31 37 1 0 0 0 0<br />
32 38 1 0 0 0 0<br />
33 29 1 0 0 0 0<br />
39 40 1 0 0 0 0<br />
16 39 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 OCH3<br />
M SBV 1 44 -0.5410 0.3506<br />
S SKP 5<br />
ID FLIA1AGS0013<br />
FORMULA C27H30O13<br />
EXACTMASS 562.168641046<br />
AVERAGEMASS 562.5193<br />
SMILES C(C(C(O)5)OC(C(O)C5O)Oc(c4)cc(c(c4)2)OC=C(c(c3)ccc(OC)c3)C2=O)OC(O1)C(O)C(C(O)C1)O<br />
M END<br />
</pre></div>
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