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Mol:FL3FEAGS0042 - 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 />
41 45 0 0 0 0 0 0 0 0999 V2000<br />
4.7418 1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
5.4425 1.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
5.4425 2.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.7418 2.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.0409 2.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.0409 1.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
5.9871 2.7593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.3261 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.6117 1.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.8972 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.8972 0.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.6117 -0.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.3261 0.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.1722 1.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.4470 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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-2.8450 -1.7565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.4921 -1.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-5.0254 -0.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-5.9297 -1.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-5.2020 -1.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.8554 -2.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.9510 -2.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.6787 -1.8122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-5.3407 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-5.9696 -0.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-5.3780 -2.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-5.9871 -1.6654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.2555 1.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.5335 1.1399 0.0000 C 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 1 1 0 0 0 0<br />
3 7 1 0 0 0 0<br />
6 8 1 0 0 0 0<br />
8 9 1 0 0 0 0<br />
9 10 1 0 0 0 0<br />
10 11 2 0 0 0 0<br />
11 12 1 0 0 0 0<br />
12 13 1 0 0 0 0<br />
13 8 2 0 0 0 0<br />
10 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 11 1 0 0 0 0<br />
12 18 2 0 0 0 0<br />
16 19 1 0 0 0 0<br />
17 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 />
19 24 1 0 0 0 0<br />
23 27 1 0 0 0 0<br />
22 28 1 0 0 0 0<br />
21 29 1 0 0 0 0<br />
30 31 1 0 0 0 0<br />
31 32 1 1 0 0 0<br />
33 32 1 1 0 0 0<br />
34 33 1 1 0 0 0<br />
34 35 1 0 0 0 0<br />
35 30 1 0 0 0 0<br />
29 34 1 0 0 0 0<br />
30 36 1 0 0 0 0<br />
31 37 1 0 0 0 0<br />
33 38 1 0 0 0 0<br />
32 39 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
15 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 ^OCH3<br />
M SBV 1 45 0.7025 -0.3726<br />
S SKP 5<br />
ID FL3FEAGS0042<br />
FORMULA C27H30O14<br />
EXACTMASS 578.163555668<br />
AVERAGEMASS 578.5187000000001<br />
SMILES C(C(O)1)(C(O)C(OC1OC(C5)C(O)C(O)C(O5)Oc(c(OC)4)c(O)c(c(c4)2)C(=O)C=C(c(c3)ccc(c3)O)O2)C)O<br />
M END<br />
</pre></div>
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