DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:27:04 UTC
Update Date	2025-03-21 18:39:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00127211
Frequency	20.1
Structure
Chemical Formula	C₁₇H₂₁NO₁₀
Molecular Mass	399.1165
SMILES	CC(=O)NC(Cc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1)C(=O)O
InChI Key	NDWCAANDTYIOGN-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	phenylalanine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetals acetamides alpha amino acids amphetamines and derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives monosaccharides n-acyl-alpha amino acids o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenol ethers phenoxy compounds phenylpropanoic acids pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	phenol ether monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound 3-phenylpropanoic-acid o-glucuronide monosaccharide pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound oxane organoheterocyclic compound acetamide amphetamine or derivatives n-acyl-alpha amino acid or derivatives alcohol pyran carboxylic acid or derivatives n-acyl-alpha-amino acid hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound organooxygen compound

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