DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:44:37 UTC
Update Date	2025-03-21 18:00:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00025765
Frequency	149.4
Structure
Chemical Formula	C₁₅H₂₀N₂O₅
Molecular Mass	308.1372
SMILES	COc1cc(CC(NC(=O)C2CCCN2)C(=O)O)ccc1O
InChI Key	IZOADNNHPLIKIV-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	dipeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alkyl aryl ethers alpha amino acid amides alpha amino acids amino acids anisoles azacyclic compounds carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives methoxybenzenes methoxylated amphetamines methoxyphenols monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenoxy compounds phenylalanine and derivatives phenylpropanoic acids proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tyrosine and derivatives
Substituents	phenol ether monocyclic benzene moiety carboxylic acid amino acid or derivatives methoxyphenol alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives secondary aliphatic amine tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid methoxylated amphetamine methoxybenzene alpha-dipeptide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives anisole phenol hydrocarbon derivative pyrrolidine-2-carboxamide phenoxy compound amine carbonyl group ether aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether organic oxide organopnictogen compound pyrrolidine amphetamine or derivatives proline or derivatives secondary amine carboxamide group monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound benzenoid organic nitrogen compound organooxygen compound

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