DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:48:41 UTC
Update Date	2025-03-21 18:01:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00035367
Frequency	100.9
Structure
Chemical Formula	C₁₄H₂₀N₂O₅
Molecular Mass	296.1372
SMILES	COc1cc(CC(NC(=O)CCCN)C(=O)O)ccc1O
InChI Key	OSDWLOLBOJLOLC-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 homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alkyl aryl ethers alpha amino acids anisoles carbonyl compounds carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives methoxybenzenes methoxylated amphetamines methoxyphenols monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenoxy compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides
Substituents	fatty acyl phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid 3-phenylpropanoic-acid gamma amino acid or derivatives fatty amide 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alkyl aryl ether 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 n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound anisole phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound phenoxy compound organooxygen compound

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