Mol:FL5FAAGL0081

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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  55  56 
M  SBL   3  1  60 
M  SMT   3  CH2OH 
M  SVB   3 60    0.7215   -3.1296 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  53  54 
M  SBL   2  1  58 
M  SMT   2  CH2OH 
M  SVB   2 58   -1.5989   -0.3764 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  51  52 
M  SBL   1  1  56 
M  SMT   1  OCH3 
M  SVB   1 56     2.815    -0.445 
S  SKP  8 
ID	FL5FAAGL0081 
KNApSAcK_ID	C00005882 
NAME	Petunoside 
CAS_RN	- 
FORMULA	C37H38O19 
EXACTMASS	786.200729034 
AVERAGEMASS	786.68622 
SMILES	c(C=CC(=O)OC([C@H](O[C@H]([C@H](OC(=C(c(c6)ccc(O)c6)5)C(c(c(O5)4)c(O)cc(O)c4)=O)3)[C@H]([C@@H](O)C(CO)O3)O)2)C([C@@H](O)[C@@H](CO)O2)O)(c1)ccc(c1OC)O 
M  END
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