Mol:FL63BINS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 36 39  0  0  0  0  0  0  0  0999 V2000 
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    0.3881    2.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.3304   -0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  35  36 
M  SBL   3  1  38 
M  SMT   3  OCH3 
M  SVB   3 38   -2.1524    0.0076 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  33  34 
M  SBL   2  1  36 
M  SMT   2  OCH3 
M  SVB   2 36    1.6645    1.1663 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1  OCH3 
M  SVB   1 34    1.2049    2.8856 
S  SKP  8 
ID	FL63BINS0001 
KNApSAcK_ID	C00008893 
NAME	Epigallocatechin 5,3',5'-trimethyl ether 3-O-gallate 
CAS_RN	148707-36-2 
FORMULA	C25H24O11 
EXACTMASS	500.13186161 
AVERAGEMASS	500.45146 
SMILES	O([C@H](C4)[C@H](Oc(c34)cc(cc(OC)3)O)c(c2)cc(c(O)c(OC)2)OC)C(=O)c(c1)cc(c(c1O)O)O 
M  END