DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:08 UTC
Update Date	2025-03-25 00:59:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02235926
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₂N₂O₉
Molecular Mass	386.1325
SMILES	COc1cc(NC(=O)C(C)N)ccc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	QWALCWDWAJZFHK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	o-glucuronides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetals alanine and derivatives alkyl aryl ethers alpha amino acid amides alpha amino acids anilides anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes monoalkylamines monocarboxylic acids and derivatives monosaccharides n-arylamides organic oxides organopnictogen compounds oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aromatic heteromonocyclic compound o-glucuronide monosaccharide n-arylamide alpha-amino acid or derivatives alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives alpha-amino acid amide hydroxy acid carboxamide group methoxybenzene anilide oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyran anisole secondary alcohol alanine or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound phenoxy compound

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