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Mol:FL7AADGL0003 - 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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11 12 2 0 0 0 0<br />
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13 14 2 0 0 0 0<br />
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3 19 1 0 0 0 0<br />
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8 20 1 0 0 0 0<br />
39 40 1 0 0 0 0<br />
15 39 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
21 41 1 0 0 0 0<br />
M CHG 1 10 1<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 39 40<br />
M SBL 1 1 44<br />
M SMT 1 OCH3<br />
M SBV 1 44 0.0059 -0.6973<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 41 42<br />
M SBL 2 1 46<br />
M SMT 2 ^ CH2OH<br />
M SBV 2 46 0.0195 0.7687<br />
S SKP 5<br />
ID FL7AADGL0003<br />
FORMULA C27H31O15<br />
EXACTMASS 595.166295322<br />
AVERAGEMASS 595.52604<br />
SMILES c(c(c5)ccc(O)c5OC)(c2OC(C3OC(C4O)OCC(C4O)O)OC(C(C3O)O)CO)[o+1]c(c1c2)cc(O)cc1O<br />
M END<br />
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