DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:40 UTC
Update Date	2025-03-25 00:54:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207344
Frequency	0.5
Structure
Chemical Formula	C₉H₁₀N₂O₅
Molecular Mass	226.059
SMILES	Nc1ccc(OCC(=O)O)c(C(=O)O)c1N
InChI Key	SQEBKSIIWGCHRM-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	1-carboxy-2-haloaromatic compounds alkyl aryl ethers amino acids benzoic acids benzoyl derivatives carbonyl compounds dicarboxylic acids and derivatives hydrocarbon derivatives organic oxides organopnictogen compounds phenol ethers phenoxy compounds primary amines vinylogous amides
Substituents	phenol ether phenoxyacetate carbonyl group ether carboxylic acid amino acid or derivatives amino acid benzoyl alkyl aryl ether carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid vinylogous amide benzoic acid or derivatives aromatic homomonocyclic compound organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary amine organic nitrogen compound phenoxy compound amine organooxygen compound

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