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Mol:FL3FACDS0017 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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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 SBV 1 57 -6.1330 7.1379<br />
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 SBV 2 59 -7.1067 7.5900<br />
S SKP 8<br />
ID FL3FACDS0017<br />
KNApSAcK_ID C00006330<br />
NAME Isoorientin 4'-O-glucoside-2''-O-(E)-caffeate<br />
CAS_RN 64763-01-5<br />
FORMULA C36H36O19<br />
EXACTMASS 772.18507897<br />
AVERAGEMASS 772.6596400000001<br />
SMILES OC(C(CO)6)C(O)C(C(O6)Oc(c1)c(cc(C(=C2)Oc(c5)c(c(O)c(c5O)C(C(OC(C=Cc(c4)ccc(O)c(O)4)=O)3)OC(C(C(O)3)O)CO)C2=O)c1)O)O<br />
M END<br />
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