DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:54 UTC
Update Date	2025-03-25 00:59:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237602
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₀N₂O₉
Molecular Mass	372.1169
SMILES	Nc1c(O)cccc1C(=O)NCC(=O)OC1OC(CO)C(O)C(O)C1O
InChI Key	MWFCUFJLOOWVIZ-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 organopnictogen compounds oxacyclic compounds oxanes primary alcohols primary amines secondary alcohols secondary carboxylic acid amides vinylogous amides
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 oxane primary alcohol organoheterocyclic compound alcohol vinylogous amide alpha-amino acid ester hippuric acid or derivatives benzoic acid or derivatives 1-hydroxy-4-unsubstituted benzenoid carboxamide group n-acylglycine oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester alpha-amino acyl ester of carbohydrate secondary alcohol phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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