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Mol:FL5FADGA0009 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
44 48 0 0 0 0 0 0 0 0999 V2000<br />
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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 />
3 18 1 0 0 0 0<br />
19 15 1 0 0 0 0<br />
4 3 1 0 0 0 0<br />
1 20 1 0 0 0 0<br />
21 8 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 />
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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 />
21 23 1 0 0 0 0<br />
32 31 1 1 0 0 0<br />
32 33 1 0 0 0 0<br />
33 34 1 0 0 0 0<br />
34 35 1 0 0 0 0<br />
35 36 1 1 0 0 0<br />
36 31 1 1 0 0 0<br />
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34 38 1 0 0 0 0<br />
36 39 1 0 0 0 0<br />
31 40 1 0 0 0 0<br />
32 20 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
16 41 1 0 0 0 0<br />
43 44 1 0 0 0 0<br />
25 43 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 0.0057 -0.6357<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 43 44<br />
M SBL 2 1 48<br />
M SMT 2 CH2OH<br />
M SBV 2 48 -0.5719 0.6278<br />
S SKP 5<br />
ID FL5FADGA0009<br />
FORMULA C28H32O16<br />
EXACTMASS 624.1690349759999<br />
AVERAGEMASS 624.54408<br />
SMILES OC(C1Oc(c5)cc(c3c5O)OC(c(c4)cc(OC)c(O)c4)=C(C3=O)OC(O2)C(C(C(O)C2CO)O)O)C(C(C(O1)C)O)O<br />
M END<br />
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