DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:21:27 UTC
Update Date	2025-03-25 01:01:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02250432
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₀N₂O₈
Molecular Mass	416.122
SMILES	O=C1CN(c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2)c2ccccc2N1
InChI Key	CAQUMFIKHAUSHM-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 heteropolycyclic compounds
Alternative Parents	acetals alpha amino acid amides alpha amino acids amino acids aniline and substituted anilines azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids glucuronic acid derivatives hydrocarbon derivatives lactams monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols secondary carboxylic acid amides tertiary alkylarylamines
Substituents	phenol ether monocyclic benzene moiety carbonyl group lactam carboxylic acid amino acid or derivatives amino acid o-glucuronide monosaccharide alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide acetal aromatic heteropolycyclic compound tertiary aliphatic/aromatic amine organonitrogen compound alpha-amino acid organopnictogen compound oxane tertiary amine organoheterocyclic compound alcohol pyran carboxylic acid or derivatives alpha-amino acid amide azacycle aniline or substituted anilines hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyran secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound amine

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