DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:04:17 UTC
Update Date	2025-03-21 18:28:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00072397
Frequency	41.3
Structure
Chemical Formula	C₁₆H₁₉NO₁₀
Molecular Mass	385.1009
SMILES	O=C(Cc1ccc(O)cc1)NCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	FBNFHUVRZJYYEV-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 acetals alpha amino acids alpha-amino acyl ester of carbohydrates beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives monosaccharides o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenylacetamides pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound oxane phenylacetamide organoheterocyclic compound alcohol pyran carboxylic acid or derivatives alpha-amino acid ester hydroxy acid carboxamide group n-acylglycine oxacycle secondary carboxylic acid amide organic oxygen compound pyran carboxylic acid ester alpha-amino acyl ester of carbohydrate secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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