DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:50:27 UTC
Update Date	2025-03-21 18:02:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00039599
Frequency	87.7
Structure
Chemical Formula	C₁₇H₂₃NO₈
Molecular Mass	369.1424
SMILES	NC(CCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O)Cc1ccccc1
InChI Key	GPDJIHWYDKXYCZ-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 amphetamines and derivatives benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acid esters gamma amino acids and derivatives glucuronic acid derivatives hydrocarbon derivatives monoalkylamines monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound gamma amino acid or derivatives o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide acetal organonitrogen compound organopnictogen compound oxane organoheterocyclic compound amphetamine or derivatives alcohol pyran carboxylic acid or derivatives hydroxy acid oxacycle fatty acid ester pyran carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound

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