DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:06 UTC
Update Date	2025-03-25 00:47:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160402
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₁NO₁₁
Molecular Mass	415.1115
SMILES	Nc1ccc(O)cc1C(=O)CC(O)CC(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	IEJZNNVHBPHOAN-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	1-hydroxy-2-unsubstituted benzenoids acetals alkyl-phenylketones amino acids aryl alkyl ketones benzoyl derivatives beta hydroxy acids and derivatives beta-hydroxy ketones butyrophenones carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acid esters glucuronic acid derivatives hydrocarbon derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes primary amines pyran carboxylic acids secondary alcohols vinylogous amides
Substituents	beta-hydroxy ketone 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 organoheterocyclic compound alcohol vinylogous amide phenylketone fatty acid ester carboxylic acid ester dicarboxylic acid or derivatives phenol hydrocarbon derivative primary amine amine alkyl-phenylketone aryl ketone fatty acyl carbonyl group aromatic heteromonocyclic compound amino acid 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative organic oxide organopnictogen compound pyran carboxylic acid or derivatives hydroxy acid butyrophenone oxacycle pyran secondary alcohol benzenoid organic nitrogen compound

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