DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:56 UTC
Update Date	2025-03-25 00:53:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02198806
Frequency	0.5
Structure
Chemical Formula	C₂₅H₂₅N₃O₅
Molecular Mass	447.1794
SMILES	C=CC1=C(C)C(=CC2=NC(=CC=NC(Cc3ccc(O)c(OC)c3)C(=O)O)C=C2C)NC1=O
InChI Key	GDYFTFVJYFSPGL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	tyrosine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids aldimines alkyl aryl ethers alpha amino acids anisoles azacyclic compounds carbonyl compounds carboxylic acids hydrocarbon derivatives ketimines lactams methoxybenzenes methoxylated amphetamines methoxyphenols monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenoxy compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds pyrrolines secondary carboxylic acid amides
Substituents	phenol ether ketimine monocyclic benzene moiety carbonyl group ether lactam carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid imine 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alkyl aryl ether propargyl-type 1,3-dipolar organic compound aldimine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives organoheterocyclic compound tyrosine or derivatives azacycle methoxylated amphetamine organic 1,3-dipolar compound carboxamide group methoxybenzene secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound pyrroline anisole phenol hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound organooxygen compound

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