Chemical identification
Unique IdentifierRID00338
CAS identifier458-37-7
PubChem identifier969516
DSSTox identifierDTXSID8031077
Molecular weight 368.385 g/mol
SMILES COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O
InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
InChIKey InChIkey=VFLDPWHFBUODDF-FCXRPNKRSA-N

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT

Chemical classification
Kingdom Organic compounds
Superclass Phenylpropanoids and polyketides
Class Diarylheptanoids
DISCLAIMER

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.