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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  43  44 
M  SBL   1  1  47 
M  SMT   1  CH2OH 
M  SVB   1 47   -2.1487    1.4378 
S  SKP  8 
ID	FL3FACCS0036 
KNApSAcK_ID	C00006299 
NAME	Isoorientin 2''-O-(E)-caffeate;2''-trans-Caffeoylisoorientin 
CAS_RN	57186-26-2 
FORMULA	C30H26O14 
EXACTMASS	610.13225554 
AVERAGEMASS	610.51904 
SMILES	O(C(=O)C=Cc(c5)ccc(O)c5O)[C@H]([C@H](c(c4O)c(c(c(c4)3)C(=O)C=C(O3)c(c2)cc(O)c(O)c2)O)1)[C@H]([C@H](C(CO)O1)O)O 
M  END