ReCAnt | Resource on Chemicals Used in Aquaculture and Their Ecotoxicity

Thonningianin B

Thonningianin B

Biotransformation Network EPA EPISUITE EPA ECOSAR

Biotransformation Network

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Successor SMILES	Successor PubChem ID	Reaction Name	Reaction SMILES	Enzyme	Biosystem	Transformation
O1[C@H]2[C@@H](OC(=O)C=3C(C=4C(C(OC2)=O)=CC(O)=C(O)C4O)=C(O)C(O)=C(O)C3)[C@H](O)C(=O)[C@@H]1OC5=CC(O)=C(C(O)=C5)C(=O)CCC6=CC=CC=C6		EAWAG_RULE_BT0002		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O1[C@H]2[C@@H](OC(=O)C=3C(C=4C(C(OC2)=O)=CC(O)=C(O)C4O)=C(O)C(O)=C(O)C3)C(=O)[C@@H](O)[C@@H]1OC5=CC(O)=C(C(O)=C5)C(=O)CCC6=CC=CC=C6		EAWAG_RULE_BT0002		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O1[C@H]2[C@@H](OC(=O)C=3C(C=4C(C(OC2)=O)=CC(O)=C(O)C4O)=C(O)C(O)=C(O)C3)[C@H](O)[C@@H](O)C1=O		EAWAG_RULE_BT0023_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
C1(=CC(O)=C(C(O)=C1)C(=O)CCC2=CC=CC=C2)O	1226045	EAWAG_RULE_BT0023_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O1[C@@H]([C@@H](OC(=O)C=2C(C=3C(C([O-])=O)=CC(O)=C(O)C3O)=C(O)C(O)=C(O)C2)[C@H](O)[C@@H](O)[C@@H]1OC4=CC(O)=C(C(O)=C4)C(=O)CCC5=CC=CC=C5)CO		EAWAG_RULE_BT0024_PATTERN1		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O1[C@@H](C([C@H](O)[C@@H](O)[C@@H]1OC2=CC(O)=C(C(O)=C2)C(=O)CCC3=CC=CC=C3)O)COC(C=4C(C=5C(C([O-])=O)=CC(=C(C5O)O)O)=C(C(=C(C4)O)O)O)=O		EAWAG_RULE_BT0024_PATTERN1		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O1[C@H]2[C@@H](OC(=O)C=3C(C=4C(C(OC2O)=O)=CC(O)=C(O)C4O)=C(O)C(O)=C(O)C3)[C@H](O)[C@@H](O)[C@@H]1OC5=CC(O)=C(C(O)=C5)C(=O)CCC6=CC=CC=C6		EAWAG_RULE_BT0073		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O1[C@H]2[C@@H](OC(=O)C(C(C=3C(C(OC2)=O)=CC(O)=C(O)C3O)=O)=CC(=C(C([O-])=O)O)O)[C@H](O)[C@@H](O)[C@@H]1OC4=CC(O)=C(C(O)=C4)C(=O)CCC5=CC=CC=C5		EAWAG_RULE_BT0342		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O1[C@H]2[C@@H](OC(=O)C=3C(C(C(C(OC2)=O)=CC(O)=C(O)C([O-])=O)=O)=C(O)C(O)=C(O)C3)[C@H](O)[C@@H](O)[C@@H]1OC4=CC(O)=C(C(O)=C4)C(=O)CCC5=CC=CC=C5		EAWAG_RULE_BT0342		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )

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EPA EPISUITE – Environmental Fate

No EPISUITE data available.

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EPA ECOSAR – Aquatic Toxicity

No ECOSAR data available.

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ReCAnt is a database of chemicals used in aquaculture and their ecotoxic effects, compiled from published literature. The authors are not liable for any inaccuracies or omissions of any chemicals in this resource. Importantly, our sole goal to build this resource on chemicals used in aquaculture is to enable future basic research on this topic, and it does not necessarily reflect the views or objectives of our employers or funders.