DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:21:25 UTC
Update Date	2025-03-21 18:37:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00113770
Frequency	23.2
Structure
Chemical Formula	C₁₇H₂₁NO₁₁
Molecular Mass	415.1115
SMILES	O=CC(O)C(CNC(=O)c1ccccc1O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	ZSLYPDOXYLCKGQ-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 1-hydroxy-4-unsubstituted benzenoids acetals alpha-hydroxyaldehydes benzamides benzoyl derivatives beta hydroxy acids and derivatives carboxylic acids glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids salicylamides secondary alcohols secondary carboxylic acid amides vinylogous acids
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound benzoyl o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative pyran carboxylic acid benzamide 1-o-glucuronide beta-hydroxy acid organic oxide alpha-hydroxyaldehyde acetal organonitrogen compound organopnictogen compound oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives aldehyde benzoic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid carboxamide group salicylamide oxacycle secondary carboxylic acid amide vinylogous acid monocarboxylic acid or derivatives salicylic acid or derivatives pyran secondary alcohol phenol hydrocarbon derivative benzenoid organic nitrogen compound

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