DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:03 UTC
Update Date	2025-03-25 00:58:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02233379
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₁NO₅
Molecular Mass	225.0637
SMILES	NCC(Oc1ccc(C(=O)O)cc1)C(=O)O
InChI Key	OHWUSQSLYDROKN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	phenoxyacetic acid derivatives
Direct Parent	phenoxyacetic acid derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alkyl aryl ethers benzoic acids benzoyl derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds phenol ethers phenoxy compounds
Substituents	phenol ether phenoxyacetate carbonyl group ether carboxylic acid benzoyl alkyl aryl ether carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound benzoic acid benzoic acid or derivatives beta amino acid or derivatives aromatic homomonocyclic compound organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound phenoxy compound organooxygen compound

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