DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:55 UTC
Update Date	2025-03-25 00:46:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153298
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₆N₂O₃
Molecular Mass	248.1161
SMILES	COc1ccc2[nH]cc(C(CCN)C(=O)O)c2c1
InChI Key	FRNXXSYWACGKBY-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	gamma amino acids and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alkyl aryl ethers anisoles azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives indoles monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds pyrroles
Substituents	phenol ether carbonyl group ether carboxylic acid indole gamma amino acid or derivatives alkyl aryl ether organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound organoheterocyclic compound azacycle heteroaromatic compound indole or derivatives monocarboxylic acid or derivatives organic oxygen compound anisole pyrrole hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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