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Mol:FL5FAAGL0080 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 54 55<br />
M SBL 2 1 59<br />
M SMT 2 CH2OH<br />
M SVB 2 59 0.7215 -3.1296<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 52 53<br />
M SBL 1 1 57<br />
M SMT 1 CH2OH<br />
M SVB 1 57 -1.5989 -0.3764<br />
S SKP 8<br />
ID FL5FAAGL0080<br />
KNApSAcK_ID C00005881<br />
NAME Kaempferol 3-caffeylsophoroside<br />
CAS_RN 130425-54-6<br />
FORMULA C36H36O19<br />
EXACTMASS 772.18507897<br />
AVERAGEMASS 772.6596400000001<br />
SMILES OC(C1OC(C=Cc(c6)ccc(c6O)O)=O)[C@@H](O)[C@H](O[C@H]1O[C@@H]([C@H]2O)[C@H](OC(=C(c(c5)ccc(O)c5)4)C(c(c(O4)3)c(O)cc(O)c3)=O)OC(CO)[C@@H]2O)CO<br />
M END<br />
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