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Mol:FL3FABGS0005 - 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 />
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-5.4357 2.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.9696 2.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-6.2542 1.6515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-6.4246 0.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
5.3142 0.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
6.4246 0.2069 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 />
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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 />
19 3 1 0 0 0 0<br />
20 21 1 1 0 0 0<br />
21 22 1 1 0 0 0<br />
23 22 1 1 0 0 0<br />
23 24 1 0 0 0 0<br />
24 25 1 0 0 0 0<br />
25 20 1 0 0 0 0<br />
25 26 1 0 0 0 0<br />
20 27 1 0 0 0 0<br />
21 28 1 0 0 0 0<br />
22 29 1 0 0 0 0<br />
31 30 1 1 0 0 0<br />
31 32 1 0 0 0 0<br />
32 33 1 0 0 0 0<br />
33 34 1 0 0 0 0<br />
34 35 1 1 0 0 0<br />
35 30 1 1 0 0 0<br />
31 36 1 0 0 0 0<br />
36 26 1 0 0 0 0<br />
34 37 1 0 0 0 0<br />
33 38 1 0 0 0 0<br />
35 39 1 0 0 0 0<br />
30 40 1 0 0 0 0<br />
23 18 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
15 41 1 0 0 0 0<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 OCH3<br />
M SBV 1 46 -0.7143 -0.4123<br />
S SKP 5<br />
ID FL3FABGS0005<br />
FORMULA C28H32O14<br />
EXACTMASS 592.179205732<br />
AVERAGEMASS 592.54528<br />
SMILES O(C)c(c5)ccc(c5)C(O4)=CC(c(c34)c(O)cc(c3)OC(C(O)1)OC(COC(O2)C(C(C(O)C(C)2)O)O)C(O)C(O)1)=O<br />
M END<br />
</pre></div>
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