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Mol:FL5FACGA0037 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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58 59 1 0 0 0 0<br />
50 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 -0.5920 -0.3418<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 -0.1066 0.7799<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 ^ OCH3<br />
M SBV 3 64 0.4588 -0.7948<br />
S SKP 5<br />
ID FL5FACGA0037<br />
FORMULA C38H40O21<br />
EXACTMASS 832.206208342<br />
AVERAGEMASS 832.7116<br />
SMILES c(c15)c(O)cc(c1C(=O)C(=C(c(c6)ccc(O)c(O)6)O5)OC(C(OC(C3O)OC(COC(C=Cc(c4)cc(c(c(OC)4)O)OC)=O)C(C(O)3)O)2)OC(C(O)C(O)2)CO)O<br />
M END<br />
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