DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:41:39 UTC
Update Date	2025-03-21 17:59:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00018983
Frequency	217.1
Structure
Chemical Formula	C₁₃H₁₈N₂O₅
Molecular Mass	282.1216
SMILES	COc1cc(CC(NC(=O)CCN)C(=O)O)ccc1O
InChI Key	SRGXTNMDCSGHOY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alkyl aryl ethers alpha amino acids anisoles beta amino acids and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives methoxybenzenes methoxylated amphetamines methoxyphenols monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenoxy compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides tyrosine and derivatives
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alpha-amino acid or derivatives alkyl aryl ether carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives n-acyl-alpha-amino acid methoxylated amphetamine carboxamide group methoxybenzene beta amino acid or derivatives aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound anisole hybrid peptide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound phenoxy compound organooxygen compound

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