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Mol:FL5FABGI0012 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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30 31 1 0 0 0 0<br />
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29 18 1 0 0 0 0<br />
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38 44 1 0 0 0 0<br />
39 19 1 0 0 0 0<br />
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56 57 1 0 0 0 0<br />
48 56 1 0 0 0 0<br />
58 59 1 0 0 0 0<br />
31 58 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 54 55<br />
M SBL 1 1 60<br />
M SMT 1 OCH3<br />
M SBV 1 60 -0.7283 -0.4205<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 56 57<br />
M SBL 2 1 62<br />
M SMT 2 CH2OH<br />
M SBV 2 62 -0.5728 0.3740<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 58 59<br />
M SBL 3 1 64<br />
M SMT 3 ^ CH2OH<br />
M SBV 3 64 0.5584 -0.5305<br />
S SKP 5<br />
ID FL5FABGI0012<br />
FORMULA C39H50O20<br />
EXACTMASS 838.28954404<br />
AVERAGEMASS 838.8023000000001<br />
SMILES O(c(c6)ccc(c6)C(O5)=C(C(c(c53)c(cc(OC(O4)C(O)C(O)C(O)C(CO)4)c3CC=C(C)C)O)=O)OC(O1)C(O)C(OC(C2O)OC(C(O)C2O)CO)C(C1C)O)C<br />
M END<br />
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