DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:19:03 UTC
Update Date	2025-03-25 01:00:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02244882
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₄N₂O₉
Molecular Mass	412.1482
SMILES	CN(C)CCC(=O)c1cc(OC2OC(C(=O)O)C(O)C(O)C2O)ccc1NC=O
InChI Key	WBHUNYNVPJDCQX-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 alkyl-phenylketones amino acids anilides aryl alkyl ketones benzoyl derivatives beta hydroxy acids and derivatives beta-amino ketones carboxylic acids glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides n-arylamides organic oxides organopnictogen compounds oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols secondary carboxylic acid amides trialkylamines vinylogous amides
Substituents	phenol ether monocyclic benzene moiety carboxylic acid aryl alkyl ketone amino acid or derivatives benzoyl o-glucuronide monosaccharide pyran carboxylic acid ketone 1-o-glucuronide beta-hydroxy acid acetal organonitrogen compound oxane beta-aminoketone organoheterocyclic compound alcohol vinylogous amide tertiary aliphatic amine phenylketone secondary carboxylic acid amide hydrocarbon derivative phenoxy compound amine alkyl-phenylketone aryl ketone carbonyl group aromatic heteromonocyclic compound amino acid n-arylamide carboxylic acid derivative organic oxide organopnictogen compound tertiary amine pyran carboxylic acid or derivatives hydroxy acid carboxamide group anilide oxacycle monocarboxylic acid or derivatives pyran secondary alcohol benzenoid organic nitrogen compound

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