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Mol:FL5FACGS0098 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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11 17 2 0 0 0 0<br />
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16 20 1 0 0 0 0<br />
5 21 1 0 0 0 0<br />
4 22 1 0 0 0 0<br />
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27 23 1 1 0 0 0<br />
26 28 1 1 0 0 0<br />
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27 29 1 0 0 0 0<br />
23 25 1 0 0 0 0<br />
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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 24 1 0 0 0 0<br />
39 40 2 0 0 0 0<br />
40 41 1 0 0 0 0<br />
41 42 2 0 0 0 0<br />
42 43 1 0 0 0 0<br />
43 44 2 0 0 0 0<br />
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19 26 1 0 0 0 0<br />
50 51 1 0 0 0 0<br />
35 50 1 0 0 0 0<br />
52 53 1 0 0 0 0<br />
27 52 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 50 51<br />
M SBL 1 1 56<br />
M SMT 1 ^ CH2OH<br />
M SBV 1 56 0.6835 0.1831<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 52 53<br />
M SBL 2 1 58<br />
M SMT 2 CH2OH<br />
M SBV 2 58 0.0000 -0.5423<br />
S SKP 5<br />
ID FL5FACGS0098<br />
FORMULA C33H32O20<br />
EXACTMASS 748.148693464<br />
AVERAGEMASS 748.59518<br />
SMILES C(O)(C1O)C(OC(c(c6)cc(c(c(O)6)O)O)=O)C(OC(C(OC(=C(c(c5)cc(c(O)c5)O)3)C(=O)c(c4O)c(cc(O)c4)O3)2)C(C(O2)CO)O)OC1CO<br />
M END<br />
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