CHEBI:107419 - 3,4,5-trimethoxybenzoic acid [(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,4,5-trimethoxybenzoic acid [(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester
ChEBI ID CHEBI:107419
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H19NO6
Net Charge 0
Average Mass 345.347
Monoisotopic Mass 345.12124
InChI InChI=1S/C18H19NO6/c1-10-6-13(7-11(2)16(10)20)19-25-18(21)12-8-14(22-3)17(24-5)15(9-12)23-4/h6-9H,1-5H3
InChIKey DTVHIFQMJDOHJN-UHFFFAOYSA-N
SMILES CC1=CC(=NOC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C=C(C1=O)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3,4,5-trimethoxybenzoic acid [(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester (CHEBI:107419) is a trihydroxybenzoic acid (CHEBI:27115)
Manual Xref Database
LSM-18773 LINCS
View more database links