DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:41:54 UTC
Update Date	2025-03-21 17:59:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00019562
Frequency	208.8
Structure
Chemical Formula	C₁₃H₂₀N₂O₂
Molecular Mass	236.1525
SMILES	CCN(CC)CC(=O)Nc1ccccc1OC
InChI Key	MULDTYNOXOMLNF-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	alpha amino acid amides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alkyl aryl ethers alpha amino acids anilides anisoles carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives methoxybenzenes n-arylamides organic oxides organopnictogen compounds phenoxy compounds secondary carboxylic acid amides trialkylamines
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether n-arylamide alkyl aryl ether organic oxide organonitrogen compound alpha-amino acid organopnictogen compound tertiary amine alpha-amino acid amide tertiary aliphatic amine carboxamide group methoxybenzene aromatic homomonocyclic compound anilide secondary carboxylic acid amide organic oxygen compound anisole hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound amine organooxygen compound

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