DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:19 UTC
Update Date	2025-03-21 18:38:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00118428
Frequency	22.1
Structure
Chemical Formula	C₁₉H₂₆N₂O₈
Molecular Mass	410.1689
SMILES	CC(=O)N1CCN(c2ccc(OCC3OC(C(=O)O)C(O)C(O)C3O)cc2)CC1
InChI Key	GSYZMSLZOBWDAV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	glucuronic acid derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetamides alkyl aryl ethers amino acids aminophenyl ethers aniline and substituted anilines azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkyl ethers dialkylarylamines hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides n-arylpiperazines organic oxides organopnictogen compounds oxacyclic compounds oxanes phenoxy compounds phenylpiperazines pyran carboxylic acids secondary alcohols tertiary carboxylic acid amides
Substituents	phenol ether monocyclic benzene moiety carboxylic acid amino acid or derivatives monosaccharide pyran carboxylic acid dialkyl ether beta-hydroxy acid organonitrogen compound oxane aminophenyl ether organoheterocyclic compound acetamide alcohol azacycle phenylpiperazine hydrocarbon derivative phenoxy compound amine carbonyl group ether glucuronic acid or derivatives aromatic heteromonocyclic compound amino acid alkyl aryl ether carboxylic acid derivative organic oxide piperazine tertiary aliphatic/aromatic amine tertiary carboxylic acid amide organopnictogen compound dialkylarylamine tertiary amine pyran carboxylic acid or derivatives aniline or substituted anilines hydroxy acid carboxamide group oxacycle monocarboxylic acid or derivatives pyran 1,4-diazinane secondary alcohol benzenoid organic nitrogen compound n-arylpiperazine

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