SOMP - Site Of Metabolism Prediction
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Pyrethrin II (C22H28O5)
( SMILES: COC(=O)C(\C)=C\C1C(C)(C)[C@H]1C(=O)O[C@@H]2C(C)=C(C(=O)C2)CC=CC=C )
Methyl isocyanate (MIC)
(SMILES: CN=C=O)
Vanillin
(SMILES: O=Cc1ccc(O)c(OC)c1)
Copper(II) sulfate
(SMILES: [Cu+2].[O-]S(=O)(=O)[O-])
Melatonin (C13H16N2O2)
(SMILES: CC(=O)NCCC1=CNc2c1cc(OC)cc2)