DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:22:10 UTC
Update Date	2025-03-21 18:37:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00115600
Frequency	22.8
Structure
Chemical Formula	C₁₄H₁₇NO₈
Molecular Mass	327.0954
SMILES	O=C(CNC(=O)c1ccccc1O)OC1OC(CO)C(O)C1O
InChI Key	WIQLVOQADDCTIS-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	acyl glycines
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals alpha amino acids alpha-amino acyl ester of carbohydrates benzoyl derivatives carbonyl compounds carboxylic acid esters hippuric acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols salicylamides secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous acids
Substituents	monocyclic benzene moiety carbonyl group aromatic heteromonocyclic compound benzoyl 1-hydroxy-2-unsubstituted benzenoid monosaccharide benzamide saccharide organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol organoheterocyclic compound alcohol alpha-amino acid ester tetrahydrofuran hippuric acid or derivatives benzoic acid or derivatives 1-hydroxy-4-unsubstituted benzenoid carboxamide group n-acylglycine salicylamide oxacycle secondary carboxylic acid amide vinylogous acid monocarboxylic acid or derivatives organic oxygen compound salicylic acid or derivatives carboxylic acid ester alpha-amino acyl ester of carbohydrate secondary alcohol phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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