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Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  52  53 
M  SBL   1  1  57 
M  SMT   1 CH2OH 
M  SBV   1 57   -6.1330    7.1379 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  54  55 
M  SBL   2  1  59 
M  SMT   2 ^CH2OH 
M  SBV   2 59   -7.1067    7.5900 
S  SKP  8 
ID	FL3FACDS0017 
KNApSAcK_ID	C00006330 
NAME	Isoorientin 4'-O-glucoside-2''-O-(E)-caffeate 
CAS_RN	64763-01-5 
FORMULA	C36H36O19 
EXACTMASS	772.18507897 
AVERAGEMASS	772.6596400000001 
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 
M  END