DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:22:17 UTC
Update Date	2025-03-21 18:37:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00115883
Frequency	22.7
Structure
Chemical Formula	C₁₇H₂₄N₂O₇
Molecular Mass	368.1584
SMILES	CN1CCN(c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2)CC1
InChI Key	RWGFOQJVHBGGSR-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	acetals amino acids aniline and substituted anilines azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkylarylamines glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides n-arylpiperazines n-methylpiperazines organic oxides organopnictogen compounds oxacyclic compounds oxanes phenol ethers phenoxy compounds phenylpiperazines pyran carboxylic acids secondary alcohols trialkylamines
Substituents	phenol ether monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide acetal piperazine tertiary aliphatic/aromatic amine organonitrogen compound organopnictogen compound oxane dialkylarylamine tertiary amine organoheterocyclic compound alcohol pyran carboxylic acid or derivatives azacycle aniline or substituted anilines n-alkylpiperazine tertiary aliphatic amine n-methylpiperazine hydroxy acid phenylpiperazine oxacycle monocarboxylic acid or derivatives pyran 1,4-diazinane secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound amine n-arylpiperazine

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