DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:08 UTC
Update Date	2025-03-21 18:05:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00057732
Frequency	54.9
Structure
Chemical Formula	C₁₉H₁₉NO₉
Molecular Mass	405.106
SMILES	O=C(Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1)c1ccccc1O
InChI Key	CFCSTTUCGHEXQX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	anilides
Direct Parent	benzanilides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals benzamides benzoyl derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids salicylamides secondary alcohols secondary carboxylic acid amides vinylogous acids
Substituents	phenol ether carbonyl group benzanilide carboxylic acid glucuronic acid or derivatives 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 saccharide organic oxide acetal organonitrogen compound organopnictogen compound oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives 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 organic oxygen compound salicylic acid or derivatives pyran secondary alcohol phenol hydrocarbon derivative organic nitrogen compound phenoxy compound organooxygen compound

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