DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:13:41 UTC
Update Date	2025-03-21 18:33:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00094821
Frequency	29.3
Structure
Chemical Formula	C₁₄H₂₀N₂O₅
Molecular Mass	296.1372
SMILES	COc1cc(CNC(=O)CCCC(N)C(=O)O)ccc1O
InChI Key	OOOHEOKVSNYZGO-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	delta amino acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alkyl aryl ethers alpha amino acids amino fatty acids anisoles carbocyclic fatty acids carbonyl compounds carboxylic acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives methoxybenzenes methoxyphenols monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds phenoxy compounds secondary carboxylic acid amides
Substituents	fatty acyl carbocyclic fatty acid phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid fatty amide 1-hydroxy-2-unsubstituted benzenoid methoxyphenol fatty acid alpha-amino acid or derivatives alkyl aryl ether medium-chain hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives medium-chain fatty acid hydroxy fatty acid carboxamide group amino fatty acid methoxybenzene n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound anisole phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound phenoxy compound organooxygen compound

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