DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:41 UTC
Update Date	2025-03-21 18:05:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00056665
Frequency	56.2
Structure
Chemical Formula	C₁₄H₁₈N₂O₃
Molecular Mass	262.1317
SMILES	COc1ccc2[nH]cc(CCNCCC(=O)O)c2c1
InChI Key	QFVUGNWANZBZIW-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	beta amino acids and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alkyl aryl ethers amino acids anisoles azacyclic compounds carbonyl compounds carboxylic acids dialkylamines heteroaromatic compounds hydrocarbon derivatives indoles monocarboxylic acids and derivatives organic oxides organopnictogen compounds pyrroles
Substituents	phenol ether carbonyl group ether carboxylic acid amino acid indole alkyl aryl ether organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound organoheterocyclic compound secondary aliphatic amine azacycle heteroaromatic compound indole or derivatives secondary amine beta amino acid or derivatives monocarboxylic acid or derivatives organic oxygen compound anisole pyrrole hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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