CHEBI:116474 - 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester
ChEBI ID CHEBI:116474
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H27NO8
Net Charge 0
Average Mass 433.453
Monoisotopic Mass 433.17367
InChI InChI=1S/C22H27NO8/c1-26-16-10-15(11-17(12-16)27-2)23-20(24)13-31-21(25)7-6-14-8-18(28-3)22(30-5)19(9-14)29-4/h8-12H,6-7,13H2,1-5H3,(H,23,24)
InChIKey DVYYGZOSLREYPL-UHFFFAOYSA-N
SMILES COC1=CC(=CC(=C1)NC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC)OC
ChEBI Ontology
Outgoing 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester (CHEBI:116474) is a dimethoxybenzene (CHEBI:51681)
Manual Xref Database
LSM-27928 LINCS
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